2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide

C19H20ClNO4S — CID 34441922

IUPAC2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C19H20ClNO4S/c1-25-17-8-2-14(3-9-17)12-21(16-6-7-16)19(22)13-26(23,24)18-10-4-15(20)5-11-18/h2-5,8-11,16H,6-7,12-13H2,1H3
InChIKeySCRFNFDSNYASEA-UHFFFAOYSA-N
MW393.89 g/mol
LogP3.31
Rot. Bonds7

About 2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide

2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 34441922) has the molecular formula C19H20ClNO4S and a molecular weight of 393.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID34441922
Molecular FormulaC19H20ClNO4S
Molecular Weight393.89 g/mol
Exact Mass393.08
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C19H20ClNO4S/c1-25-17-8-2-14(3-9-17)12-21(16-6-7-16)19(22)13-26(23,24)18-10-4-15(20)5-11-18/h2-5,8-11,16H,6-7,12-13H2,1H3
InChIKeySCRFNFDSNYASEA-UHFFFAOYSA-N
XLogP3.31
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 34441922) is 2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is SCRFNFDSNYASEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4S/c1-25-17-8-2-14(3-9-17)12-21(16-6-7-16)19(22)13-26(23,24)18-10-4-15(20)5-11-18/h2-5,8-11,16H,6-7,12-13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 393.89 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 34441922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).