3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide

C20H23N3O3S — CID 120767034

IUPAC3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide
SMILESN[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H23N3O3S/c21-19-13-23(12-18(19)14-5-2-1-3-6-14)27(25,26)17-8-4-7-15(11-17)20(24)22-16-9-10-16/h1-8,11,16,18-19H,9-10,12-13,21H2,(H,22,24)/t18-,19+/m0/s1
InChIKeyDPBHBXLBHMBGHB-RBUKOAKNSA-N
MW385.49 g/mol
LogP1.69
Rot. Bonds5

About 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide

3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide (PubChem CID 120767034) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide
PubChem CID120767034
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide
SMILESN[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H23N3O3S/c21-19-13-23(12-18(19)14-5-2-1-3-6-14)27(25,26)17-8-4-7-15(11-17)20(24)22-16-9-10-16/h1-8,11,16,18-19H,9-10,12-13,21H2,(H,22,24)/t18-,19+/m0/s1
InChIKeyDPBHBXLBHMBGHB-RBUKOAKNSA-N
XLogP1.69
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide
CID 72848817
(3S,4S)-1-[3-(cyclopropylcarbamoyl)phenyl]sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122104117
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
(3S,4R)-1-(3-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766465
(3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 120766881
methyl 4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylbenzoate
CID 120766596
1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 120766000
4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride
CID 120766723
(3S,4R)-1-(3,5-difluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767014
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonyl-N-prop-2-enylbenzamide;hydrochloride
CID 120766363
3-pyrrolidin-1-ylsulfonyl-N-[4-[[4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5202113

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide?
The IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide (CID 120767034) is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide?
The canonical SMILES for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide is N[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C[C@H]1c1ccccc1.
What is the InChIKey of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide?
The InChIKey is DPBHBXLBHMBGHB-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H23N3O3S/c21-19-13-23(12-18(19)14-5-2-1-3-6-14)27(25,26)17-8-4-7-15(11-17)20(24)22-16-9-10-16/h1-8,11,16,18-19H,9-10,12-13,21H2,(H,22,24)/t18-,19+/m0/s1.
What are the key properties of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide?
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide has a molecular weight of 385.49 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide is sourced from PubChem (CID 120767034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).