N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide

C23H28N2O3S — CID 95592243

IUPACN-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C23H28N2O3S/c1-2-21(17-7-4-3-5-8-17)22-9-6-16-25(22)23(26)18-10-14-20(15-11-18)29(27,28)24-19-12-13-19/h3-5,7-8,10-11,14-15,19,21-22,24H,2,6,9,12-13,16H2,1H3/t21-,22+/m0/s1
InChIKeyLUMLDRIINXODBL-FCHUYYIVSA-N
MW412.56 g/mol
LogP3.93
Rot. Bonds7

About N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide

N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 95592243) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID95592243
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C23H28N2O3S/c1-2-21(17-7-4-3-5-8-17)22-9-6-16-25(22)23(26)18-10-14-20(15-11-18)29(27,28)24-19-12-13-19/h3-5,7-8,10-11,14-15,19,21-22,24H,2,6,9,12-13,16H2,1H3/t21-,22+/m0/s1
InChIKeyLUMLDRIINXODBL-FCHUYYIVSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 56800413
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 95592222
1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592234
4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide
CID 70710461
(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 56800405
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592365
(3-methoxyphenyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592187
(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592245
N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061212
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
(5-methylpyrazin-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 94801465

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide (CID 95592243) is N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide is CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is LUMLDRIINXODBL-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-2-21(17-7-4-3-5-8-17)22-9-6-16-25(22)23(26)18-10-14-20(15-11-18)29(27,28)24-19-12-13-19/h3-5,7-8,10-11,14-15,19,21-22,24H,2,6,9,12-13,16H2,1H3/t21-,22+/m0/s1.
What are the key properties of N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide?
N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 412.56 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 95592243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).