N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

C21H21N3O4S2 — CID 55461069

IUPACN-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C21H21N3O4S2/c1-22-30(27,28)14-16-9-7-15(8-10-16)13-23-20(25)17-4-2-5-18(12-17)24-21(26)19-6-3-11-29-19/h2-12,22H,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyDCTFAPSOLPXZFA-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.98
Rot. Bonds8

About N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55461069) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55461069
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC NameN-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C21H21N3O4S2/c1-22-30(27,28)14-16-9-7-15(8-10-16)13-23-20(25)17-4-2-5-18(12-17)24-21(26)19-6-3-11-29-19/h2-12,22H,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyDCTFAPSOLPXZFA-UHFFFAOYSA-N
XLogP2.98
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55817668
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119643191
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888732
N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18140938
N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33102267
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27758223
tert-butyl N-[[4-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]methyl]carbamate
CID 31516554
3-(2,2-dimethylpropanoylamino)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 30545357
N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide
CID 86865208
N-[3-[(4-bromophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32758172
3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 33118512

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 55461069) is N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1.
What is the InChIKey of N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is DCTFAPSOLPXZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-22-30(27,28)14-16-9-7-15(8-10-16)13-23-20(25)17-4-2-5-18(12-17)24-21(26)19-6-3-11-29-19/h2-12,22H,13-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55461069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).