N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide

C19H22N2O3S2 — CID 55722221

IUPACN-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCCC1c1ccsc1
InChIInChI=1S/C19H22N2O3S2/c22-19(21-9-2-5-18(21)16-8-10-25-13-16)15-3-1-4-17(11-15)26(23,24)20-12-14-6-7-14/h1,3-4,8,10-11,13-14,18,20H,2,5-7,9,12H2
InChIKeyBQFLRVQXOAYJHD-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.41
Rot. Bonds6

About N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide

N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 55722221) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID55722221
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC NameN-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCCC1c1ccsc1
InChIInChI=1S/C19H22N2O3S2/c22-19(21-9-2-5-18(21)16-8-10-25-13-16)15-3-1-4-17(11-15)26(23,24)20-12-14-6-7-14/h1,3-4,8,10-11,13-14,18,20H,2,5-7,9,12H2
InChIKeyBQFLRVQXOAYJHD-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55722334
3-(2-phenylpyrrolidine-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 51325401
N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55497289
[3-(methylsulfinylmethyl)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 71941539
3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 119376148
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
2-[4-[3-(cyclopropylmethylsulfamoyl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210899
N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43004682
[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948049
3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 46421177

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 55722221) is N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCCC1c1ccsc1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is BQFLRVQXOAYJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c22-19(21-9-2-5-18(21)16-8-10-25-13-16)15-3-1-4-17(11-15)26(23,24)20-12-14-6-7-14/h1,3-4,8,10-11,13-14,18,20H,2,5-7,9,12H2.
What are the key properties of N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 390.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55722221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).