N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

C19H30N2O5S — CID 43901158

IUPACN-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)N(C)C2CCCCC2O)S(C)(=O)=O)cc1
InChIInChI=1S/C19H30N2O5S/c1-14(2)26-16-11-9-15(10-12-16)21(27(4,24)25)13-19(23)20(3)17-7-5-6-8-18(17)22/h9-12,14,17-18,22H,5-8,13H2,1-4H3
InChIKeyYUXIPSIZDXOXFK-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.00
Rot. Bonds7

About N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (PubChem CID 43901158) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
PubChem CID43901158
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)N(C)C2CCCCC2O)S(C)(=O)=O)cc1
InChIInChI=1S/C19H30N2O5S/c1-14(2)26-16-11-9-15(10-12-16)21(27(4,24)25)13-19(23)20(3)17-7-5-6-8-18(17)22/h9-12,14,17-18,22H,5-8,13H2,1-4H3
InChIKeyYUXIPSIZDXOXFK-UHFFFAOYSA-N
XLogP2.00
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43895790
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
CID 43900281
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897196
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897141
N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30257661
N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30267086
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43895971
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
CID 30272318
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43896648
2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 92672264
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 133249920
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide
CID 113070738

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (CID 43901158) is N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is CC(C)Oc1ccc(N(CC(=O)N(C)C2CCCCC2O)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The InChIKey is YUXIPSIZDXOXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-14(2)26-16-11-9-15(10-12-16)21(27(4,24)25)13-19(23)20(3)17-7-5-6-8-18(17)22/h9-12,14,17-18,22H,5-8,13H2,1-4H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide has a molecular weight of 398.53 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 43901158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).