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

C19H24N2O3S — CID 3871257

IUPAC3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)CC(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)
InChIKeyZKFRPGHVRVCODA-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.93
Rot. Bonds8

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

3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide (PubChem CID 3871257) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
PubChem CID3871257
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)CC(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)
InChIKeyZKFRPGHVRVCODA-UHFFFAOYSA-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 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide (CID 3871257) is 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide is CCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide?
The InChIKey is ZKFRPGHVRVCODA-UHFFFAOYSA-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).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide?
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 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 3871257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).