N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide

C12H12N2O3S2 — CID 86865208

IUPACN-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)Cc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C12H12N2O3S2/c13-19(16,17)8-9-3-1-4-10(7-9)14-12(15)11-5-2-6-18-11/h1-7H,8H2,(H,14,15)(H2,13,16,17)
InChIKeyIVDSEZBPEMQFND-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.79
Rot. Bonds4

About N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide

N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 86865208) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID86865208
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC NameN-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)Cc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C12H12N2O3S2/c13-19(16,17)8-9-3-1-4-10(7-9)14-12(15)11-5-2-6-18-11/h1-7H,8H2,(H,14,15)(H2,13,16,17)
InChIKeyIVDSEZBPEMQFND-UHFFFAOYSA-N
XLogP1.79
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
5-ethyl-N-[3-(sulfamoylmethyl)phenyl]furan-2-carboxamide
CID 60610670
N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide
CID 46529043
N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 75463773
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55461069
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
N-(3-azidophenyl)thiophene-2-carboxamide
CID 152539114
N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1232080

Frequently Asked Questions

What is the IUPAC name of N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide (CID 86865208) is N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide is NS(=O)(=O)Cc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is IVDSEZBPEMQFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c13-19(16,17)8-9-3-1-4-10(7-9)14-12(15)11-5-2-6-18-11/h1-7H,8H2,(H,14,15)(H2,13,16,17).
What are the key properties of N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide?
N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 86865208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).