N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C18H22N2O3S2 — CID 2999692

IUPACN-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-14-7-9-16(10-8-14)25(22,23)20-11-3-6-17(20)18(21)19(2)13-15-5-4-12-24-15/h4-5,7-10,12,17H,3,6,11,13H2,1-2H3
InChIKeyFPNLRQBYFKIHSR-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.87
Rot. Bonds5

About N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 2999692) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID2999692
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-14-7-9-16(10-8-14)25(22,23)20-11-3-6-17(20)18(21)19(2)13-15-5-4-12-24-15/h4-5,7-10,12,17H,3,6,11,13H2,1-2H3
InChIKeyFPNLRQBYFKIHSR-UHFFFAOYSA-N
XLogP2.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 2999692) is N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)N(C)Cc2cccs2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is FPNLRQBYFKIHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-14-7-9-16(10-8-14)25(22,23)20-11-3-6-17(20)18(21)19(2)13-15-5-4-12-24-15/h4-5,7-10,12,17H,3,6,11,13H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2999692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).