N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide

C16H23ClN2O4S — CID 113149007

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN(C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O4S/c1-11-8-14(15(23-2)9-13(11)17)18-16(20)10-19(24(3,21)22)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)
InChIKeyDAXDJCFILFTOGX-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.80
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide (PubChem CID 113149007) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide
PubChem CID113149007
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN(C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O4S/c1-11-8-14(15(23-2)9-13(11)17)18-16(20)10-19(24(3,21)22)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)
InChIKeyDAXDJCFILFTOGX-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
CID 113148028
N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
CID 113147968
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113153135
methyl 4-chloro-3-[[2-[cyclopentyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113148972
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 1021971
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148226
N-(3-chloro-2-methylphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1287742
2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113153145
2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113148921
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 113153099
2-[cyclopentyl(methylsulfonyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113148924
2-[acetyl(cyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113159589

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide (CID 113149007) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN(C1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide?
The InChIKey is DAXDJCFILFTOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-11-8-14(15(23-2)9-13(11)17)18-16(20)10-19(24(3,21)22)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,18,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide has a molecular weight of 374.89 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113149007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).