(3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide

C19H24N2O3S — CID 26477608

IUPAC(3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-3-13-20-19(22)14-18(16-7-5-4-6-8-16)21-25(23,24)17-11-9-15(2)10-12-17/h4-12,18,21H,3,13-14H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyZKFRPGHVRVCODA-SFHVURJKSA-N
MW360.48 g/mol
LogP2.93
Rot. Bonds8

About (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide

(3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide (PubChem CID 26477608) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name(3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
PubChem CID26477608
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-3-13-20-19(22)14-18(16-7-5-4-6-8-16)21-25(23,24)17-11-9-15(2)10-12-17/h4-12,18,21H,3,13-14H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyZKFRPGHVRVCODA-SFHVURJKSA-N
XLogP2.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide?
The IUPAC name of (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide (CID 26477608) is (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide.
What is the SMILES notation for (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide?
The canonical SMILES for (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide is CCCNC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide?
The InChIKey is ZKFRPGHVRVCODA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-13-20-19(22)14-18(16-7-5-4-6-8-16)21-25(23,24)17-11-9-15(2)10-12-17/h4-12,18,21H,3,13-14H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide?
(3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide has a molecular weight of 360.48 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 26477608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).