5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide

C17H22N2O2S2 — CID 90619991

IUPAC5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCCN2c2ccccc2)s1
InChIInChI=1S/C17H22N2O2S2/c1-2-16-10-11-17(22-16)23(20,21)18-13-15-9-6-12-19(15)14-7-4-3-5-8-14/h3-5,7-8,10-11,15,18H,2,6,9,12-13H2,1H3
InChIKeyPKTDEHBASSUZFE-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.26
Rot. Bonds6

About 5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide

5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 90619991) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID90619991
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Name5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCCN2c2ccccc2)s1
InChIInChI=1S/C17H22N2O2S2/c1-2-16-10-11-17(22-16)23(20,21)18-13-15-9-6-12-19(15)14-7-4-3-5-8-14/h3-5,7-8,10-11,15,18H,2,6,9,12-13H2,1H3
InChIKeyPKTDEHBASSUZFE-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide
CID 90619970
2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 90620054
3,5-dimethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 90619979
N-[(1-methylpyrrolidin-2-yl)methyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106094791
5-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 114137985
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 99903578
methyl 4-[(1-phenylpyrrolidin-2-yl)methylsulfamoyl]benzoate
CID 90620037
5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 16887547
5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389169
3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 90619999
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide
CID 113271283
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide (CID 90619991) is 5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC2CCCN2c2ccccc2)s1.
What is the InChIKey of 5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is PKTDEHBASSUZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-2-16-10-11-17(22-16)23(20,21)18-13-15-9-6-12-19(15)14-7-4-3-5-8-14/h3-5,7-8,10-11,15,18H,2,6,9,12-13H2,1H3.
What are the key properties of 5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 350.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 90619991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).