4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide

C20H23NO4S — CID 110626952

IUPAC4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCOc1ccccc1CCN(C)S(=O)(=O)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C20H23NO4S/c1-21(14-13-15-5-3-4-6-19(15)25-2)26(23,24)18-11-9-17(10-12-18)20(22)16-7-8-16/h3-6,9-12,16H,7-8,13-14H2,1-2H3
InChIKeyMVSAGEKOGNDMHT-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.15
Rot. Bonds8

About 4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide

4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide (PubChem CID 110626952) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
PubChem CID110626952
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCOc1ccccc1CCN(C)S(=O)(=O)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C20H23NO4S/c1-21(14-13-15-5-3-4-6-19(15)25-2)26(23,24)18-11-9-17(10-12-18)20(22)16-7-8-16/h3-6,9-12,16H,7-8,13-14H2,1-2H3
InChIKeyMVSAGEKOGNDMHT-UHFFFAOYSA-N
XLogP3.15
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide (CID 110626952) is 4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide is COc1ccccc1CCN(C)S(=O)(=O)c1ccc(C(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is MVSAGEKOGNDMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-21(14-13-15-5-3-4-6-19(15)25-2)26(23,24)18-11-9-17(10-12-18)20(22)16-7-8-16/h3-6,9-12,16H,7-8,13-14H2,1-2H3.
What are the key properties of 4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide?
4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 373.47 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 110626952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).