5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide

C9H14N2O3S2 — CID 47337072

IUPAC5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCCS(N)(=O)=O)s1
InChIInChI=1S/C9H14N2O3S2/c1-7-3-4-8(15-7)9(12)11-5-2-6-16(10,13)14/h3-4H,2,5-6H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyQBXRPZGZQFHWTE-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.46
Rot. Bonds5

About 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide

5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide (PubChem CID 47337072) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide
PubChem CID47337072
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC Name5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCCS(N)(=O)=O)s1
InChIInChI=1S/C9H14N2O3S2/c1-7-3-4-8(15-7)9(12)11-5-2-6-16(10,13)14/h3-4H,2,5-6H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyQBXRPZGZQFHWTE-UHFFFAOYSA-N
XLogP0.46
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate
CID 60637607
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
CID 62665926
methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate
CID 43404553
N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene
CID 143748403
N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 81484281
3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
CID 61132238
5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 134055886
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide
CID 61132568
2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide
CID 47337096
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
CID 51728926
2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide
CID 107027336

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide (CID 47337072) is 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide is Cc1ccc(C(=O)NCCCS(N)(=O)=O)s1.
What is the InChIKey of 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide?
The InChIKey is QBXRPZGZQFHWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c1-7-3-4-8(15-7)9(12)11-5-2-6-16(10,13)14/h3-4H,2,5-6H2,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide?
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 47337072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).