5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide

C12H18N2O4S2 — CID 115612472

IUPAC5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC2CCOCC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O4S2/c1-8-11(20(13,16)17)6-10(19-8)12(15)14-7-9-2-4-18-5-3-9/h6,9H,2-5,7H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyDLZVLQQEKMPJPJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.86
Rot. Bonds4

About 5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide

5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide (PubChem CID 115612472) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide
PubChem CID115612472
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Name5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC2CCOCC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O4S2/c1-8-11(20(13,16)17)6-10(19-8)12(15)14-7-9-2-4-18-5-3-9/h6,9H,2-5,7H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyDLZVLQQEKMPJPJ-UHFFFAOYSA-N
XLogP0.86
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide
CID 107421025
N-(2-cyclohexylethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612428
N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612435
N-(2,2-dimethylpropyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 112689693
N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 103839322
N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115629451
5-methyl-N-(2-methylbutyl)-4-sulfamoylthiophene-2-carboxamide
CID 112676814
2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 112689917
N-cyclopropyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 112689679
5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
CID 112676774
oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate
CID 65380892
5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide
CID 115729501

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide (CID 115612472) is 5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide is Cc1sc(C(=O)NCC2CCOCC2)cc1S(N)(=O)=O.
What is the InChIKey of 5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide?
The InChIKey is DLZVLQQEKMPJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-8-11(20(13,16)17)6-10(19-8)12(15)14-7-9-2-4-18-5-3-9/h6,9H,2-5,7H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide?
5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 115612472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).