2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide

C17H25ClN2O4S — CID 43895971

IUPAC2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)N(C)C1CCCCC1O)S(C)(=O)=O
InChIInChI=1S/C17H25ClN2O4S/c1-12-8-9-13(18)10-15(12)20(25(3,23)24)11-17(22)19(2)14-6-4-5-7-16(14)21/h8-10,14,16,21H,4-7,11H2,1-3H3
InChIKeyVHVNBICFINTHPS-UHFFFAOYSA-N
MW388.92 g/mol
LogP2.18
Rot. Bonds5

About 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 43895971) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
PubChem CID43895971
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)N(C)C1CCCCC1O)S(C)(=O)=O
InChIInChI=1S/C17H25ClN2O4S/c1-12-8-9-13(18)10-15(12)20(25(3,23)24)11-17(22)19(2)14-6-4-5-7-16(14)21/h8-10,14,16,21H,4-7,11H2,1-3H3
InChIKeyVHVNBICFINTHPS-UHFFFAOYSA-N
XLogP2.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43895790
N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 28633074
N-(5-chloro-2-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1145387
2-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(3-chlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 133198339
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30222862
2-[benzyl-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclopentylbutanamide
CID 132622151
N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 43901158
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1135711
2-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132633489
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1338404
2-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132633490
2-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133248644

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide (CID 43895971) is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide is Cc1ccc(Cl)cc1N(CC(=O)N(C)C1CCCCC1O)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is VHVNBICFINTHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c1-12-8-9-13(18)10-15(12)20(25(3,23)24)11-17(22)19(2)14-6-4-5-7-16(14)21/h8-10,14,16,21H,4-7,11H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 388.92 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 43895971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).