N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C20H24N2O3S — CID 2226534

IUPACN-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-16-6-10-18(11-7-16)22(14-20(23)21-17-8-9-17)26(24,25)19-12-4-15(2)5-13-19/h4-7,10-13,17H,3,8-9,14H2,1-2H3,(H,21,23)
InChIKeyBWFHFGYHFRDYRZ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.03
Rot. Bonds7

About N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 2226534) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID2226534
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-16-6-10-18(11-7-16)22(14-20(23)21-17-8-9-17)26(24,25)19-12-4-15(2)5-13-19/h4-7,10-13,17H,3,8-9,14H2,1-2H3,(H,21,23)
InChIKeyBWFHFGYHFRDYRZ-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 2226534) is N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is CCc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is BWFHFGYHFRDYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-16-6-10-18(11-7-16)22(14-20(23)21-17-8-9-17)26(24,25)19-12-4-15(2)5-13-19/h4-7,10-13,17H,3,8-9,14H2,1-2H3,(H,21,23).
What are the key properties of N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 372.49 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 2226534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).