N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide

C20H25N3O3S — CID 120748480

IUPACN-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H25N3O3S/c1-2-12-27(25,26)22-19-11-7-6-10-16(19)20(24)23-13-17(18(21)14-23)15-8-4-3-5-9-15/h3-11,17-18,22H,2,12-14,21H2,1H3/t17-,18+/m0/s1
InChIKeyGRZFTHPIQFFLIL-ZWKOTPCHSA-N
MW387.51 g/mol
LogP2.41
Rot. Bonds6

About N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide

N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 120748480) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
PubChem CID120748480
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H25N3O3S/c1-2-12-27(25,26)22-19-11-7-6-10-16(19)20(24)23-13-17(18(21)14-23)15-8-4-3-5-9-15/h3-11,17-18,22H,2,12-14,21H2,1H3/t17-,18+/m0/s1
InChIKeyGRZFTHPIQFFLIL-ZWKOTPCHSA-N
XLogP2.41
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 120747550
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 120746552
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119516967
6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514603
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-ethylsulfonylethanone;hydrochloride
CID 120747325
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
CID 119376284
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(4-propylphenyl)methanone
CID 120746415
(3S)-1-[2-(ethylsulfonylamino)benzoyl]piperidine-3-carboxylic acid
CID 119174076
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120749297
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 120749868
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-methylpentan-1-one
CID 120746565
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone;hydrochloride
CID 120747403

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide (CID 120748480) is N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccccc1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide?
The InChIKey is GRZFTHPIQFFLIL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-2-12-27(25,26)22-19-11-7-6-10-16(19)20(24)23-13-17(18(21)14-23)15-8-4-3-5-9-15/h3-11,17-18,22H,2,12-14,21H2,1H3/t17-,18+/m0/s1.
What are the key properties of N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide?
N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 120748480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).