(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride

C17H28ClN3O4S — CID 119690168

IUPAC(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-13(2)11-16(18)17(21)19-12-14-3-5-15(6-4-14)25(22,23)20-7-9-24-10-8-20;/h3-6,13,16H,7-12,18H2,1-2H3,(H,19,21);1H/t16-;/m0./s1
InChIKeyOLKQHJPJJHANHF-NTISSMGPSA-N
MW405.95 g/mol
LogP1.12
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride (PubChem CID 119690168) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
PubChem CID119690168
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC Name(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-13(2)11-16(18)17(21)19-12-14-3-5-15(6-4-14)25(22,23)20-7-9-24-10-8-20;/h3-6,13,16H,7-12,18H2,1-2H3,(H,19,21);1H/t16-;/m0./s1
InChIKeyOLKQHJPJJHANHF-NTISSMGPSA-N
XLogP1.12
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 119690147
2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylacetamide
CID 119271586
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 119296233
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
(2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide
CID 41198913
(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide
CID 119735475
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
(2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119691062
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride (CID 119690168) is (2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is OLKQHJPJJHANHF-NTISSMGPSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-13(2)11-16(18)17(21)19-12-14-3-5-15(6-4-14)25(22,23)20-7-9-24-10-8-20;/h3-6,13,16H,7-12,18H2,1-2H3,(H,19,21);1H/t16-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119690168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).