N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide

C19H23N3O3S — CID 120766841

IUPACN-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-2-19(23)21-15-8-10-16(11-9-15)26(24,25)22-12-17(18(20)13-22)14-6-4-3-5-7-14/h3-11,17-18H,2,12-13,20H2,1H3,(H,21,23)/t17-,18+/m0/s1
InChIKeyXCPCMMDVPXSVHM-ZWKOTPCHSA-N
MW373.48 g/mol
LogP2.15
Rot. Bonds5

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

N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide (PubChem CID 120766841) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide
PubChem CID120766841
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-2-19(23)21-15-8-10-16(11-9-15)26(24,25)22-12-17(18(20)13-22)14-6-4-3-5-7-14/h3-11,17-18H,2,12-13,20H2,1H3,(H,21,23)/t17-,18+/m0/s1
InChIKeyXCPCMMDVPXSVHM-ZWKOTPCHSA-N
XLogP2.15
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide?
The IUPAC name of N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide (CID 120766841) is N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide.
What is the SMILES notation for N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide?
The canonical SMILES for N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide?
The InChIKey is XCPCMMDVPXSVHM-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-19(23)21-15-8-10-16(11-9-15)26(24,25)22-12-17(18(20)13-22)14-6-4-3-5-7-14/h3-11,17-18H,2,12-13,20H2,1H3,(H,21,23)/t17-,18+/m0/s1.
What are the key properties of N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide?
N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide has a molecular weight of 373.48 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide is sourced from PubChem (CID 120766841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).