2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide

C21H23N3O3S2 — CID 75191855

IUPAC2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2cscn2)c1
InChIInChI=1S/C21H23N3O3S2/c1-15-8-9-16(2)20(10-15)29(26,27)24-19(11-17-6-4-3-5-7-17)21(25)22-12-18-13-28-14-23-18/h3-10,13-14,19,24H,11-12H2,1-2H3,(H,22,25)
InChIKeyUJHRVIOSFQMNJS-UHFFFAOYSA-N
MW429.57 g/mol
LogP2.97
Rot. Bonds8

About 2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide

2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 75191855) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID75191855
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC Name2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2cscn2)c1
InChIInChI=1S/C21H23N3O3S2/c1-15-8-9-16(2)20(10-15)29(26,27)24-19(11-17-6-4-3-5-7-17)21(25)22-12-18-13-28-14-23-18/h3-10,13-14,19,24H,11-12H2,1-2H3,(H,22,25)
InChIKeyUJHRVIOSFQMNJS-UHFFFAOYSA-N
XLogP2.97
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 75191877
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 28539814
N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950534
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28539747
4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)-2-[(2,4,5-trimethylphenyl)sulfonylamino]butanamide
CID 75191884
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 28539637
(2S)-N-benzyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646044
N-butyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871027
2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 3578188
(2R)-N-(2,5-dimethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539862
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 43871126
(2R)-3-phenyl-N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537318

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 75191855) is 2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide is Cc1ccc(C)c(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2cscn2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is UJHRVIOSFQMNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-15-8-9-16(2)20(10-15)29(26,27)24-19(11-17-6-4-3-5-7-17)21(25)22-12-18-13-28-14-23-18/h3-10,13-14,19,24H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 429.57 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 75191855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).