[2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid

C19H17N3O6S2 — CID 69101070

IUPAC[2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2NS(=O)(=O)NC(=O)O)cc1
InChIInChI=1S/C19H17N3O6S2/c1-28-14-7-4-12(5-8-14)18(23)20-16-11-13(17-3-2-10-29-17)6-9-15(16)21-30(26,27)22-19(24)25/h2-11,21-22H,1H3,(H,20,23)(H,24,25)
InChIKeyRZYWRNXNTDAHJO-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.60
Rot. Bonds7

About [2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid

[2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid (PubChem CID 69101070) has the molecular formula C19H17N3O6S2 and a molecular weight of 447.49 g/mol. Its IUPAC name is [2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid.

Molecular Properties

Compound Name[2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid
PubChem CID69101070
Molecular FormulaC19H17N3O6S2
Molecular Weight447.49 g/mol
Exact Mass447.06
IUPAC Name[2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2NS(=O)(=O)NC(=O)O)cc1
InChIInChI=1S/C19H17N3O6S2/c1-28-14-7-4-12(5-8-14)18(23)20-16-11-13(17-3-2-10-29-17)6-9-15(16)21-30(26,27)22-19(24)25/h2-11,21-22H,1H3,(H,20,23)(H,24,25)
InChIKeyRZYWRNXNTDAHJO-UHFFFAOYSA-N
XLogP3.60
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
[2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid
CID 69100917
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
N-(2-hydroxyphenyl)-4-thiophen-2-ylbenzamide
CID 944599
N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913883
N-(2-amino-5-thiophen-2-ylphenyl)-4-(phenylsulfonimidoyl)benzamide
CID 168792402
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
tert-butyl N-[methyl-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]phenyl]methyl]-oxo-λ6-sulfanylidene]carbamate
CID 168792123
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506
[2-[[4-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethoxy]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamic acid
CID 175518906
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid?
The IUPAC name of [2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid (CID 69101070) is [2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid.
What is the SMILES notation for [2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid?
The canonical SMILES for [2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid is COc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2NS(=O)(=O)NC(=O)O)cc1.
What is the InChIKey of [2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid?
The InChIKey is RZYWRNXNTDAHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6S2/c1-28-14-7-4-12(5-8-14)18(23)20-16-11-13(17-3-2-10-29-17)6-9-15(16)21-30(26,27)22-19(24)25/h2-11,21-22H,1H3,(H,20,23)(H,24,25).
What are the key properties of [2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid?
[2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid has a molecular weight of 447.49 g/mol, XLogP of 3.60, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid is sourced from PubChem (CID 69101070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).