N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide

C17H22N2O2S2 — CID 112506471

IUPACN-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1C(CNS(=O)(=O)c1cccs1)N1CCCC1
InChIInChI=1S/C17H22N2O2S2/c1-14-7-2-3-8-15(14)16(19-10-4-5-11-19)13-18-23(20,21)17-9-6-12-22-17/h2-3,6-9,12,16,18H,4-5,10-11,13H2,1H3
InChIKeyOESVXTIJWHEXCZ-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide

N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide (PubChem CID 112506471) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
PubChem CID112506471
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC NameN-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1C(CNS(=O)(=O)c1cccs1)N1CCCC1
InChIInChI=1S/C17H22N2O2S2/c1-14-7-2-3-8-15(14)16(19-10-4-5-11-19)13-18-23(20,21)17-9-6-12-22-17/h2-3,6-9,12,16,18H,4-5,10-11,13H2,1H3
InChIKeyOESVXTIJWHEXCZ-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 47006058
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 112504149
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 20962695
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506478
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 45003189
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
CID 16907404
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 112507286
N-[2-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 45275010
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 99698254
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzenesulfonamide
CID 60529924
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 7498366
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 30448660

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide (CID 112506471) is N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide is Cc1ccccc1C(CNS(=O)(=O)c1cccs1)N1CCCC1.
What is the InChIKey of N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide?
The InChIKey is OESVXTIJWHEXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-14-7-2-3-8-15(14)16(19-10-4-5-11-19)13-18-23(20,21)17-9-6-12-22-17/h2-3,6-9,12,16,18H,4-5,10-11,13H2,1H3.
What are the key properties of N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide?
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide has a molecular weight of 350.51 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112506471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).