(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

C24H29N3O5S2 — CID 155169077

IUPAC(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCOc1ccc(-c2csc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C24H29N3O5S2/c1-15(2)12-19(27-34(29,30)18-9-6-16(3)7-10-18)23(28)26-24-25-20(14-33-24)17-8-11-21(31-4)22(13-17)32-5/h6-11,13-15,19,27H,12H2,1-5H3,(H,25,26,28)/t19-/m0/s1
InChIKeyJDBIGOHWWNZJAG-IBGZPJMESA-N
MW503.65 g/mol
LogP4.47
Rot. Bonds10

About (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (PubChem CID 155169077) has the molecular formula C24H29N3O5S2 and a molecular weight of 503.65 g/mol. Its IUPAC name is (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
PubChem CID155169077
Molecular FormulaC24H29N3O5S2
Molecular Weight503.65 g/mol
Exact Mass503.15
IUPAC Name(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCOc1ccc(-c2csc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C24H29N3O5S2/c1-15(2)12-19(27-34(29,30)18-9-6-16(3)7-10-18)23(28)26-24-25-20(14-33-24)17-8-11-21(31-4)22(13-17)32-5/h6-11,13-15,19,27H,12H2,1-5H3,(H,25,26,28)/t19-/m0/s1
InChIKeyJDBIGOHWWNZJAG-IBGZPJMESA-N
XLogP4.47
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 155168802
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 46592712
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 15336479
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 98403414
2-(benzenesulfonamido)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 55382300
[4-(2-amino-1,3-thiazol-4-yl)phenyl] (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 155168817
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3575429
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 47739085
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
(2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 8801390
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55941569

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (CID 155169077) is (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is COc1ccc(-c2csc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)n2)cc1OC.
What is the InChIKey of (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is JDBIGOHWWNZJAG-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N3O5S2/c1-15(2)12-19(27-34(29,30)18-9-6-16(3)7-10-18)23(28)26-24-25-20(14-33-24)17-8-11-21(31-4)22(13-17)32-5/h6-11,13-15,19,27H,12H2,1-5H3,(H,25,26,28)/t19-/m0/s1.
What are the key properties of (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 503.65 g/mol, XLogP of 4.47, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 155169077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).