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

C14H16N2O3S2 — CID 31942147

IUPACN-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccsc1
InChIInChI=1S/C14H16N2O3S2/c1-15-21(18,19)10-13-5-3-2-4-11(13)8-16-14(17)12-6-7-20-9-12/h2-7,9,15H,8,10H2,1H3,(H,16,17)
InChIKeyVXMUOOLYIRTLOK-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.73
Rot. Bonds6

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

N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide (PubChem CID 31942147) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide
PubChem CID31942147
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccsc1
InChIInChI=1S/C14H16N2O3S2/c1-15-21(18,19)10-13-5-3-2-4-11(13)8-16-14(17)12-6-7-20-9-12/h2-7,9,15H,8,10H2,1H3,(H,16,17)
InChIKeyVXMUOOLYIRTLOK-UHFFFAOYSA-N
XLogP1.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 62950632
N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 134022174
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 17477546
2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17408196
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17468980
N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18143916
1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 39045690
N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide
CID 47161409
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 24644501
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 9266277

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide (CID 31942147) is N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide is CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccsc1.
What is the InChIKey of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide?
The InChIKey is VXMUOOLYIRTLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-15-21(18,19)10-13-5-3-2-4-11(13)8-16-14(17)12-6-7-20-9-12/h2-7,9,15H,8,10H2,1H3,(H,16,17).
What are the key properties of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide?
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 31942147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).