3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide

C18H19N3O5S — CID 2666822

IUPAC3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CC2)c1
InChIInChI=1S/C18H19N3O5S/c1-26-16-8-3-2-7-15(16)21-27(24,25)14-6-4-5-13(11-14)18(23)20-19-17(22)12-9-10-12/h2-8,11-12,21H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyARTOZMLFCDENMN-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.67
Rot. Bonds6

About 3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide

3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 2666822) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID2666822
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CC2)c1
InChIInChI=1S/C18H19N3O5S/c1-26-16-8-3-2-7-15(16)21-27(24,25)14-6-4-5-13(11-14)18(23)20-19-17(22)12-9-10-12/h2-8,11-12,21H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyARTOZMLFCDENMN-UHFFFAOYSA-N
XLogP1.67
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide 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-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 24622460
3-[(furan-2-carbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2084798
N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544059
3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164421
N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24517530
[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea
CID 2520940
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 9414168
1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55933258
3-[[(4-acetyl-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24502638
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide (CID 2666822) is 3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CC2)c1.
What is the InChIKey of 3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is ARTOZMLFCDENMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-26-16-8-3-2-7-15(16)21-27(24,25)14-6-4-5-13(11-14)18(23)20-19-17(22)12-9-10-12/h2-8,11-12,21H,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide?
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2666822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).