1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide

C19H21NO3S — CID 4110790

IUPAC1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)NCCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO3S/c1-15-7-9-17(10-8-15)24(22,23)19(12-13-19)18(21)20-14-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyNUSXEWXWKDDDGX-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.66
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide

1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide (PubChem CID 4110790) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
PubChem CID4110790
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)NCCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO3S/c1-15-7-9-17(10-8-15)24(22,23)19(12-13-19)18(21)20-14-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyNUSXEWXWKDDDGX-UHFFFAOYSA-N
XLogP2.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide (CID 4110790) is 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)NCCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The InChIKey is NUSXEWXWKDDDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-15-7-9-17(10-8-15)24(22,23)19(12-13-19)18(21)20-14-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 4110790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).