4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide

C18H27NO3S — CID 33002263

IUPAC4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CCCC1CCCCC1
InChIInChI=1S/C18H27NO3S/c1-14-11-12-16(23(2,21)22)13-17(14)19-18(20)10-6-9-15-7-4-3-5-8-15/h11-13,15H,3-10H2,1-2H3,(H,19,20)
InChIKeyGBZWJUXKLXAKIY-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.09
Rot. Bonds6

About 4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide

4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide (PubChem CID 33002263) has the molecular formula C18H27NO3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide
PubChem CID33002263
Molecular FormulaC18H27NO3S
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC Name4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CCCC1CCCCC1
InChIInChI=1S/C18H27NO3S/c1-14-11-12-16(23(2,21)22)13-17(14)19-18(20)10-6-9-15-7-4-3-5-8-15/h11-13,15H,3-10H2,1-2H3,(H,19,20)
InChIKeyGBZWJUXKLXAKIY-UHFFFAOYSA-N
XLogP4.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide
CID 46454647
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625
N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide
CID 62674347
3-(4-cyclohexylbutanoylamino)-5-methylsulfonylbenzoic acid
CID 119257879
3-(4-cyclopentylbutanoylamino)-5-methylsulfonylbenzoic acid
CID 119257840
N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
CID 10500851
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
CID 39192508
2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 79851670
N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 34194248
2-(1-aminocyclopentyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 64685014

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide?
The IUPAC name of 4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide (CID 33002263) is 4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide?
The canonical SMILES for 4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide?
The InChIKey is GBZWJUXKLXAKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-14-11-12-16(23(2,21)22)13-17(14)19-18(20)10-6-9-15-7-4-3-5-8-15/h11-13,15H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide?
4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide has a molecular weight of 337.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 33002263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).