N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide

C23H30N2O5S — CID 43894224

IUPACN-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCOc1cccc(N(CC(=O)N(C)C2CCCCC2O)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H30N2O5S/c1-17-11-13-20(14-12-17)31(28,29)25(18-7-6-8-19(15-18)30-3)16-23(27)24(2)21-9-4-5-10-22(21)26/h6-8,11-15,21-22,26H,4-5,9-10,16H2,1-3H3
InChIKeyINKUYXJVLVYWJZ-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.96
Rot. Bonds7

About N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide

N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide (PubChem CID 43894224) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
PubChem CID43894224
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCOc1cccc(N(CC(=O)N(C)C2CCCCC2O)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H30N2O5S/c1-17-11-13-20(14-12-17)31(28,29)25(18-7-6-8-19(15-18)30-3)16-23(27)24(2)21-9-4-5-10-22(21)26/h6-8,11-15,21-22,26H,4-5,9-10,16H2,1-3H3
InChIKeyINKUYXJVLVYWJZ-UHFFFAOYSA-N
XLogP2.96
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43894457
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43892688
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43896648
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897141
N-benzyl-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 1100135
N-cyclohexyl-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 92684262
(2S)-N-cyclohexyl-2-[[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100544126
2-[benzyl-[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclopentylpropanamide
CID 132629144
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 46764464
2-[benzyl-[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclopentylbutanamide
CID 132631484
N-(3-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 28589854
(2R)-N-cyclohexyl-2-[[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 100595864

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide (CID 43894224) is N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide is COc1cccc(N(CC(=O)N(C)C2CCCCC2O)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The InChIKey is INKUYXJVLVYWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-17-11-13-20(14-12-17)31(28,29)25(18-7-6-8-19(15-18)30-3)16-23(27)24(2)21-9-4-5-10-22(21)26/h6-8,11-15,21-22,26H,4-5,9-10,16H2,1-3H3.
What are the key properties of N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide has a molecular weight of 446.57 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 43894224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).