N-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide

C20H23NO4S — CID 993446

IUPACN-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide
SMILESCOc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4S/c1-25-18-14-12-17(13-15-18)21(20(22)16-8-4-2-5-9-16)26(23,24)19-10-6-3-7-11-19/h3,6-7,10-16H,2,4-5,8-9H2,1H3
InChIKeyBLFVQKOJOBDUBX-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.00
Rot. Bonds5

About N-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide

N-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide (PubChem CID 993446) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide
PubChem CID993446
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC NameN-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide
SMILESCOc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4S/c1-25-18-14-12-17(13-15-18)21(20(22)16-8-4-2-5-9-16)26(23,24)19-10-6-3-7-11-19/h3,6-7,10-16H,2,4-5,8-9H2,1H3
InChIKeyBLFVQKOJOBDUBX-UHFFFAOYSA-N
XLogP4.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide (CID 993446) is N-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide is COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide?
The InChIKey is BLFVQKOJOBDUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-25-18-14-12-17(13-15-18)21(20(22)16-8-4-2-5-9-16)26(23,24)19-10-6-3-7-11-19/h3,6-7,10-16H,2,4-5,8-9H2,1H3.
What are the key properties of N-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide?
N-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide has a molecular weight of 373.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(4-methoxyphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 993446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).