2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide

C20H32N2O3S — CID 55661395

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
SMILESCc1ccccc1N(CC(=O)NC1CC(C)CCC1C(C)C)S(C)(=O)=O
InChIInChI=1S/C20H32N2O3S/c1-14(2)17-11-10-15(3)12-18(17)21-20(23)13-22(26(5,24)25)19-9-7-6-8-16(19)4/h6-9,14-15,17-18H,10-13H2,1-5H3,(H,21,23)
InChIKeyUZRMIXGADAPKDH-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.34
Rot. Bonds6

About 2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide

2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide (PubChem CID 55661395) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
PubChem CID55661395
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
SMILESCc1ccccc1N(CC(=O)NC1CC(C)CCC1C(C)C)S(C)(=O)=O
InChIInChI=1S/C20H32N2O3S/c1-14(2)17-11-10-15(3)12-18(17)21-20(23)13-22(26(5,24)25)19-9-7-6-8-16(19)4/h6-9,14-15,17-18H,10-13H2,1-5H3,(H,21,23)
InChIKeyUZRMIXGADAPKDH-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 113153702
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 124775916
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide
CID 55683241
N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 52637714
1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-3-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiourea
CID 11930417
methyl 2-[bis[2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]amino]-2-oxoethyl]amino]acetate
CID 132579395
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36612731
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 6959125
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 23231964
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 6974295

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide (CID 55661395) is 2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide is Cc1ccccc1N(CC(=O)NC1CC(C)CCC1C(C)C)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide?
The InChIKey is UZRMIXGADAPKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-14(2)17-11-10-15(3)12-18(17)21-20(23)13-22(26(5,24)25)19-9-7-6-8-16(19)4/h6-9,14-15,17-18H,10-13H2,1-5H3,(H,21,23).
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide has a molecular weight of 380.55 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide is sourced from PubChem (CID 55661395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).