N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide

C19H17N3O5S2 — CID 4826874

IUPACN-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C19H17N3O5S2/c1-27-16-6-3-2-5-15(16)22-29(25,26)14-10-8-13(9-11-14)18(23)20-21-19(24)17-7-4-12-28-17/h2-12,22H,1H3,(H,20,23)(H,21,24)
InChIKeyZKGFSBTZLQMUJX-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.63
Rot. Bonds6

About N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide

N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 4826874) has the molecular formula C19H17N3O5S2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID4826874
Molecular FormulaC19H17N3O5S2
Molecular Weight431.50 g/mol
Exact Mass431.06
IUPAC NameN-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C19H17N3O5S2/c1-27-16-6-3-2-5-15(16)22-29(25,26)14-10-8-13(9-11-14)18(23)20-21-19(24)17-7-4-12-28-17/h2-12,22H,1H3,(H,20,23)(H,21,24)
InChIKeyZKGFSBTZLQMUJX-UHFFFAOYSA-N
XLogP2.63
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methoxyphenyl)sulfamoyl]-N-(1-thiophen-2-ylethyl)benzamide
CID 43003138
N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 27172570
4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861048
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 2687763
propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56546673
4-[[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2112117
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832379
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
4-[(2-methoxyphenyl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 31321858
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26665081
N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24517530

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide (CID 4826874) is N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is ZKGFSBTZLQMUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S2/c1-27-16-6-3-2-5-15(16)22-29(25,26)14-10-8-13(9-11-14)18(23)20-21-19(24)17-7-4-12-28-17/h2-12,22H,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 431.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 4826874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).