N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide

C23H30N2O6S — CID 43897751

IUPACN-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2O)c2ccccc2OC)cc1
InChIInChI=1S/C23H30N2O6S/c1-24(19-8-4-6-10-21(19)26)23(27)16-25(20-9-5-7-11-22(20)31-3)32(28,29)18-14-12-17(30-2)13-15-18/h5,7,9,11-15,19,21,26H,4,6,8,10,16H2,1-3H3
InChIKeyIKBLTHHUKOSHIB-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.66
Rot. Bonds8

About N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide

N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide (PubChem CID 43897751) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
PubChem CID43897751
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC NameN-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2O)c2ccccc2OC)cc1
InChIInChI=1S/C23H30N2O6S/c1-24(19-8-4-6-10-21(19)26)23(27)16-25(20-9-5-7-11-22(20)31-3)32(28,29)18-14-12-17(30-2)13-15-18/h5,7,9,11-15,19,21,26H,4,6,8,10,16H2,1-3H3
InChIKeyIKBLTHHUKOSHIB-UHFFFAOYSA-N
XLogP2.66
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897141
N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 43894224
N-cyclohexyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280380
N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide
CID 124758353
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
CID 1310802
(2S)-N-cyclohexyl-2-[[2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100514155
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897196
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
CID 42979745
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 133174814
(2R)-N-cyclohexyl-2-[[2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 100597602

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide (CID 43897751) is N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide is COc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2O)c2ccccc2OC)cc1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide?
The InChIKey is IKBLTHHUKOSHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-24(19-8-4-6-10-21(19)26)23(27)16-25(20-9-5-7-11-22(20)31-3)32(28,29)18-14-12-17(30-2)13-15-18/h5,7,9,11-15,19,21,26H,4,6,8,10,16H2,1-3H3.
What are the key properties of N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide?
N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide has a molecular weight of 462.57 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 43897751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).