(2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride

C56H64Cl6F6N12O14S2 — CID 91099838

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride
SMILESCN[C@@H](C)C(=O)NCCO.C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)Cl)n21.C[C@H](N)C(=O)NCCO.C[C@H](NS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(OC(F)(F)F)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)NCCO.Cl
InChIInChI=1S/C25H24Cl2F3N5O6S.C20H13Cl3F3N3O4S.C6H14N2O2.C5H12N2O2.ClH/c1-14(21(37)31-7-8-36)33-42(39,40)20-13-32-23-34(18-10-16(26)9-17(27)11-18)22(38)24(2,35(20)23)12-15-3-5-19(6-4-15)41-25(28,29)30;1-19(9-11-2-4-15(5-3-11)33-20(24,25)26)17(30)28(14-7-12(21)6-13(22)8-14)18-27-10-16(29(18)19)34(23,31)32;1-5(7-2)6(10)8-3-4-9;1-4(6)5(9)7-2-3-8;/h3-6,9-11,13-14,33,36H,7-8,12H2,1-2H3,(H,31,37);2-8,10H,9H2,1H3;5,7,9H,3-4H2,1-2H3,(H,8,10);4,8H,2-3,6H2,1H3,(H,7,9);1H/t14-,24+;19-;5-;4-;/m0100./s1
InChIKeyYLNJIICQHFZNHJ-DZVNBDIUSA-N
MW1520.04 g/mol
LogP6.72
Rot. Bonds22

About (2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride

(2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride (PubChem CID 91099838) has the molecular formula C56H64Cl6F6N12O14S2 and a molecular weight of 1520.04 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride
PubChem CID91099838
Molecular FormulaC56H64Cl6F6N12O14S2
Molecular Weight1520.04 g/mol
Exact Mass1516.21
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride
SMILESCN[C@@H](C)C(=O)NCCO.C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)Cl)n21.C[C@H](N)C(=O)NCCO.C[C@H](NS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(OC(F)(F)F)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)NCCO.Cl
InChIInChI=1S/C25H24Cl2F3N5O6S.C20H13Cl3F3N3O4S.C6H14N2O2.C5H12N2O2.ClH/c1-14(21(37)31-7-8-36)33-42(39,40)20-13-32-23-34(18-10-16(26)9-17(27)11-18)22(38)24(2,35(20)23)12-15-3-5-19(6-4-15)41-25(28,29)30;1-19(9-11-2-4-15(5-3-11)33-20(24,25)26)17(30)28(14-7-12(21)6-13(22)8-14)18-27-10-16(29(18)19)34(23,31)32;1-5(7-2)6(10)8-3-4-9;1-4(6)5(9)7-2-3-8;/h3-6,9-11,13-14,33,36H,7-8,12H2,1-2H3,(H,31,37);2-8,10H,9H2,1H3;5,7,9H,3-4H2,1-2H3,(H,8,10);4,8H,2-3,6H2,1H3,(H,7,9);1H/t14-,24+;19-;5-;4-;/m0100./s1
InChIKeyYLNJIICQHFZNHJ-DZVNBDIUSA-N
XLogP6.72
TPSA361.07 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001520.04
LogP ≤ 56.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze (2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride (CID 91099838) is (2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride is CN[C@@H](C)C(=O)NCCO.C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)Cl)n21.C[C@H](N)C(=O)NCCO.C[C@H](NS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(OC(F)(F)F)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)NCCO.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride?
The InChIKey is YLNJIICQHFZNHJ-DZVNBDIUSA-N. The full InChI is InChI=1S/C25H24Cl2F3N5O6S.C20H13Cl3F3N3O4S.C6H14N2O2.C5H12N2O2.ClH/c1-14(21(37)31-7-8-36)33-42(39,40)20-13-32-23-34(18-10-16(26)9-17(27)11-18)22(38)24(2,35(20)23)12-15-3-5-19(6-4-15)41-25(28,29)30;1-19(9-11-2-4-15(5-3-11)33-20(24,25)26)17(30)28(14-7-12(21)6-13(22)8-14)18-27-10-16(29(18)19)34(23,31)32;1-5(7-2)6(10)8-3-4-9;1-4(6)5(9)7-2-3-8;/h3-6,9-11,13-14,33,36H,7-8,12H2,1-2H3,(H,31,37);2-8,10H,9H2,1H3;5,7,9H,3-4H2,1-2H3,(H,8,10);4,8H,2-3,6H2,1H3,(H,7,9);1H/t14-,24+;19-;5-;4-;/m0100./s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride?
(2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride has a molecular weight of 1520.04 g/mol, XLogP of 6.72, 22 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 91099838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).