N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide

C13H14N2O3S2 — CID 36650596

IUPACN-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide
SMILESCc1ccc(CNC(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C13H14N2O3S2/c1-9-2-4-10(5-3-9)7-15-13(16)11-6-12(19-8-11)20(14,17)18/h2-6,8H,7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyZLTVDVAJHHODSC-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.63
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide

N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide (PubChem CID 36650596) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide
PubChem CID36650596
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide
SMILESCc1ccc(CNC(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C13H14N2O3S2/c1-9-2-4-10(5-3-9)7-15-13(16)11-6-12(19-8-11)20(14,17)18/h2-6,8H,7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyZLTVDVAJHHODSC-UHFFFAOYSA-N
XLogP1.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 39191262
N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 115631261
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 95044301
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 63823232
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-sulfamoylthiophene-3-carboxamide
CID 94762614
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
CID 119235236
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
CID 167682226
N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 103742641

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide (CID 36650596) is N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide is Cc1ccc(CNC(=O)c2csc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is ZLTVDVAJHHODSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-9-2-4-10(5-3-9)7-15-13(16)11-6-12(19-8-11)20(14,17)18/h2-6,8H,7H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide?
N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 36650596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).