2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

C31H43ClN4O5S — CID 58719348

IUPAC2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
SMILESCCN(CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N(C)C1(CC)CC)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
InChIInChI=1S/C31H43ClN4O5S/c1-7-31(8-2)25(27(42(39,40)35(31)6)23-15-17-24(32)18-16-23)19-36(9-3)28(37)26(34-29(38)30(4,5)33)21-41-20-22-13-11-10-12-14-22/h10-18,26H,7-9,19-21,33H2,1-6H3,(H,34,38)/t26-/m1/s1
InChIKeyOTQUEWVPEGKULD-AREMUKBSSA-N
MW619.23 g/mol
LogP4.17
Rot. Bonds13

About 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (PubChem CID 58719348) has the molecular formula C31H43ClN4O5S and a molecular weight of 619.23 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
PubChem CID58719348
Molecular FormulaC31H43ClN4O5S
Molecular Weight619.23 g/mol
Exact Mass618.26
IUPAC Name2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
SMILESCCN(CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N(C)C1(CC)CC)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
InChIInChI=1S/C31H43ClN4O5S/c1-7-31(8-2)25(27(42(39,40)35(31)6)23-15-17-24(32)18-16-23)19-36(9-3)28(37)26(34-29(38)30(4,5)33)21-41-20-22-13-11-10-12-14-22/h10-18,26H,7-9,19-21,33H2,1-6H3,(H,34,38)/t26-/m1/s1
InChIKeyOTQUEWVPEGKULD-AREMUKBSSA-N
XLogP4.17
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.23
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride
CID 162324942
2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride
CID 162340173
2-amino-N-[(2R)-1-[2-[3-(4-chlorophenyl)-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl]ethyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid
CID 162326452
2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-4,4,4-trifluorobutanamide
CID 58679473
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride
CID 162308246
2-amino-N-[(2R)-1-[[3-(2-bromophenyl)-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 10305123
2-amino-N-[(2R)-1-[ethyl-[(3-naphthalen-1-yl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 58719353
2-amino-N-[(2R)-1-[ethyl-[[3-(3-methylphenyl)-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid
CID 158096101
2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 58719414
2-amino-N-[(2R)-1-[ethyl-[(2-oxo-3-thiophen-2-yl-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 58719377
tert-butyl N-[1-[[(2R)-1-[[3-(4-tert-butylphenyl)-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 58719349
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[(2,2-dioxo-3-phenyl-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]-N-ethyl-5-phenylpentanamide
CID 10144894

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (CID 58719348) is 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is CCN(CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N(C)C1(CC)CC)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N.
What is the InChIKey of 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The InChIKey is OTQUEWVPEGKULD-AREMUKBSSA-N. The full InChI is InChI=1S/C31H43ClN4O5S/c1-7-31(8-2)25(27(42(39,40)35(31)6)23-15-17-24(32)18-16-23)19-36(9-3)28(37)26(34-29(38)30(4,5)33)21-41-20-22-13-11-10-12-14-22/h10-18,26H,7-9,19-21,33H2,1-6H3,(H,34,38)/t26-/m1/s1.
What are the key properties of 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide has a molecular weight of 619.23 g/mol, XLogP of 4.17, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 58719348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).