2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide

C19H16ClN3O4S2 — CID 16803047

IUPAC2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClN3O4S2/c1-21-18(25)16-9-10-28-19(16)22-17(24)12-3-2-4-14(11-12)23-29(26,27)15-7-5-13(20)6-8-15/h2-11,23H,1H3,(H,21,25)(H,22,24)
InChIKeyXWYTWIBERSQJTC-UHFFFAOYSA-N
MW449.94 g/mol
LogP3.81
Rot. Bonds6

About 2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide

2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide (PubChem CID 16803047) has the molecular formula C19H16ClN3O4S2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide
PubChem CID16803047
Molecular FormulaC19H16ClN3O4S2
Molecular Weight449.94 g/mol
Exact Mass449.03
IUPAC Name2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClN3O4S2/c1-21-18(25)16-9-10-28-19(16)22-17(24)12-3-2-4-14(11-12)23-29(26,27)15-7-5-13(20)6-8-15/h2-11,23H,1H3,(H,21,25)(H,22,24)
InChIKeyXWYTWIBERSQJTC-UHFFFAOYSA-N
XLogP3.81
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7542035
2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 7164117
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-2-yl)benzamide
CID 121042877
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714
3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide
CID 121042738
3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580711
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide
CID 18558971
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide (CID 16803047) is 2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide is CNC(=O)c1ccsc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide?
The InChIKey is XWYTWIBERSQJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S2/c1-21-18(25)16-9-10-28-19(16)22-17(24)12-3-2-4-14(11-12)23-29(26,27)15-7-5-13(20)6-8-15/h2-11,23H,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide?
2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 16803047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).