4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

C18H22N2O3S2 — CID 1217154

IUPAC4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccs2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H22N2O3S2/c1-14-7-8-15(18(21)19-13-16-6-5-11-24-16)12-17(14)25(22,23)20-9-3-2-4-10-20/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,19,21)
InChIKeyKPAMJFPIRNNOLJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.16
Rot. Bonds5

About 4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 1217154) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID1217154
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccs2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H22N2O3S2/c1-14-7-8-15(18(21)19-13-16-6-5-11-24-16)12-17(14)25(22,23)20-9-3-2-4-10-20/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,19,21)
InChIKeyKPAMJFPIRNNOLJ-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide 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 4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 1217154) is 4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2cccs2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is KPAMJFPIRNNOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-14-7-8-15(18(21)19-13-16-6-5-11-24-16)12-17(14)25(22,23)20-9-3-2-4-10-20/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,19,21).
What are the key properties of 4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 1217154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).