(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide

C20H24N2O3S — CID 7926305

IUPAC(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESC[C@H](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-16(17-8-3-2-4-9-17)14-20(23)21-18-10-7-11-19(15-18)26(24,25)22-12-5-6-13-22/h2-4,7-11,15-16H,5-6,12-14H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyVUOBCOVYAFQSLT-MRXNPFEDSA-N
MW372.49 g/mol
LogP3.60
Rot. Bonds6

About (3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide

(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide (PubChem CID 7926305) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
PubChem CID7926305
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESC[C@H](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-16(17-8-3-2-4-9-17)14-20(23)21-18-10-7-11-19(15-18)26(24,25)22-12-5-6-13-22/h2-4,7-11,15-16H,5-6,12-14H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyVUOBCOVYAFQSLT-MRXNPFEDSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4785250
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CID 9101152
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8614711
(3S)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide
CID 25466236
ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907098
3-amino-N-(3-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide;hydrochloride
CID 119948702
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 60540977
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4819254
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide
CID 24979456
2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7377209

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of (3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide (CID 7926305) is (3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for (3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for (3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide is C[C@H](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is VUOBCOVYAFQSLT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16(17-8-3-2-4-9-17)14-20(23)21-18-10-7-11-19(15-18)26(24,25)22-12-5-6-13-22/h2-4,7-11,15-16H,5-6,12-14H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of (3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide?
(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 372.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 7926305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).