2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide

C18H28N2O4S — CID 28546228

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(15-9-11-17(24-2)12-10-15)19-18(21)13-20(25(3,22)23)16-7-5-4-6-8-16/h9-12,14,16H,4-8,13H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyIDPNHUJMAUWIDQ-CQSZACIVSA-N
MW368.50 g/mol
LogP2.47
Rot. Bonds7

About 2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide

2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 28546228) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID28546228
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(15-9-11-17(24-2)12-10-15)19-18(21)13-20(25(3,22)23)16-7-5-4-6-8-16/h9-12,14,16H,4-8,13H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyIDPNHUJMAUWIDQ-CQSZACIVSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28543890
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43871755
2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113153086
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861140
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871818
2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401341
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]acetamide
CID 28548561
2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401577
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 41263670
2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28548598
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 954156
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28551866

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide (CID 28546228) is 2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is IDPNHUJMAUWIDQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14(15-9-11-17(24-2)12-10-15)19-18(21)13-20(25(3,22)23)16-7-5-4-6-8-16/h9-12,14,16H,4-8,13H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 368.50 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28546228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).