N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide

C20H26N2O3S — CID 101472582

IUPACN,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCN(CC)C(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-4-22(5-2)20(23)15-19(17-9-7-6-8-10-17)21-26(24,25)18-13-11-16(3)12-14-18/h6-14,19,21H,4-5,15H2,1-3H3
InChIKeyGDPDMWWBWYTVQO-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.27
Rot. Bonds8

About N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide

N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 101472582) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID101472582
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCN(CC)C(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-4-22(5-2)20(23)15-19(17-9-7-6-8-10-17)21-26(24,25)18-13-11-16(3)12-14-18/h6-14,19,21H,4-5,15H2,1-3H3
InChIKeyGDPDMWWBWYTVQO-UHFFFAOYSA-N
XLogP3.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (CID 101472582) is N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide is CCN(CC)C(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is GDPDMWWBWYTVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-22(5-2)20(23)15-19(17-9-7-6-8-10-17)21-26(24,25)18-13-11-16(3)12-14-18/h6-14,19,21H,4-5,15H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 374.51 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 101472582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).