2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide

C19H18N4O4S2 — CID 18571981

IUPAC2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccccc3C(N)=O)cs2)cc1
InChIInChI=1S/C19H18N4O4S2/c1-12-6-8-14(9-7-12)29(26,27)23-19-21-13(11-28-19)10-17(24)22-16-5-3-2-4-15(16)18(20)25/h2-9,11H,10H2,1H3,(H2,20,25)(H,21,23)(H,22,24)
InChIKeyLEQWGNGQSCSLEB-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.53
Rot. Bonds7

About 2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide

2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide (PubChem CID 18571981) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
PubChem CID18571981
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC Name2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccccc3C(N)=O)cs2)cc1
InChIInChI=1S/C19H18N4O4S2/c1-12-6-8-14(9-7-12)29(26,27)23-19-21-13(11-28-19)10-17(24)22-16-5-3-2-4-15(16)18(20)25/h2-9,11H,10H2,1H3,(H2,20,25)(H,21,23)(H,22,24)
InChIKeyLEQWGNGQSCSLEB-UHFFFAOYSA-N
XLogP2.53
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874
N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970873
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 18572006
N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572009
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18572014
N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572007
N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 16827164
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110386251
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide
CID 108802071

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide (CID 18571981) is 2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide is Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccccc3C(N)=O)cs2)cc1.
What is the InChIKey of 2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The InChIKey is LEQWGNGQSCSLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c1-12-6-8-14(9-7-12)29(26,27)23-19-21-13(11-28-19)10-17(24)22-16-5-3-2-4-15(16)18(20)25/h2-9,11H,10H2,1H3,(H2,20,25)(H,21,23)(H,22,24).
What are the key properties of 2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide has a molecular weight of 430.51 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 18571981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).