N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide

C16H23ClN2O4S — CID 1021981

IUPACN-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O4S/c1-23-15-9-8-12(17)10-14(15)18-16(20)11-19(24(2,21)22)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,20)
InChIKeyPHSYJLREEUSBHK-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.88
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide (PubChem CID 1021981) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
PubChem CID1021981
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O4S/c1-23-15-9-8-12(17)10-14(15)18-16(20)11-19(24(2,21)22)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,20)
InChIKeyPHSYJLREEUSBHK-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide (CID 1021981) is N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The InChIKey is PHSYJLREEUSBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-23-15-9-8-12(17)10-14(15)18-16(20)11-19(24(2,21)22)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide has a molecular weight of 374.89 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 1021981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).