5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide

C18H23NO3S2 — CID 46968329

IUPAC5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide
SMILESCc1cccc(C2(CNS(=O)(=O)c3ccc(C)s3)CCOCC2)c1
InChIInChI=1S/C18H23NO3S2/c1-14-4-3-5-16(12-14)18(8-10-22-11-9-18)13-19-24(20,21)17-7-6-15(2)23-17/h3-7,12,19H,8-11,13H2,1-2H3
InChIKeyDFMYHQFXRWZUHQ-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.39
Rot. Bonds5

About 5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide

5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 46968329) has the molecular formula C18H23NO3S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide
PubChem CID46968329
Molecular FormulaC18H23NO3S2
Molecular Weight365.52 g/mol
Exact Mass365.11
IUPAC Name5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide
SMILESCc1cccc(C2(CNS(=O)(=O)c3ccc(C)s3)CCOCC2)c1
InChIInChI=1S/C18H23NO3S2/c1-14-4-3-5-16(12-14)18(8-10-22-11-9-18)13-19-24(20,21)17-7-6-15(2)23-17/h3-7,12,19H,8-11,13H2,1-2H3
InChIKeyDFMYHQFXRWZUHQ-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide (CID 46968329) is 5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide is Cc1cccc(C2(CNS(=O)(=O)c3ccc(C)s3)CCOCC2)c1.
What is the InChIKey of 5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is DFMYHQFXRWZUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S2/c1-14-4-3-5-16(12-14)18(8-10-22-11-9-18)13-19-24(20,21)17-7-6-15(2)23-17/h3-7,12,19H,8-11,13H2,1-2H3.
What are the key properties of 5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide?
5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 365.52 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 46968329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).