2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide

C16H23NO3S — CID 75420632

IUPAC2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide
SMILESCC(C(=O)NC1CCCCC1c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H23NO3S/c1-12(21(2,19)20)16(18)17-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H,17,18)
InChIKeyMVMBPYWVLSERHT-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.26
Rot. Bonds4

About 2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide

2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide (PubChem CID 75420632) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide
PubChem CID75420632
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide
SMILESCC(C(=O)NC1CCCCC1c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H23NO3S/c1-12(21(2,19)20)16(18)17-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H,17,18)
InChIKeyMVMBPYWVLSERHT-UHFFFAOYSA-N
XLogP2.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1R)-2-phenylcyclohexyl]propanamide
CID 170769324
(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
CID 96532946
3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119783067
[(2S)-2-phenylcyclohexyl]urea
CID 141176309
4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673133
N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
CID 103798336
N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274
methyl (2S)-3-methyl-2-[(2-phenylcyclohexyl)amino]butanoate
CID 43776131
N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide
CID 106366596
2-amino-N-(2-phenylcyclopentyl)acetamide
CID 119323270
N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide
CID 43771846

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide?
The IUPAC name of 2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide (CID 75420632) is 2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide.
What is the SMILES notation for 2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide?
The canonical SMILES for 2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide is CC(C(=O)NC1CCCCC1c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide?
The InChIKey is MVMBPYWVLSERHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-12(21(2,19)20)16(18)17-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide?
2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide has a molecular weight of 309.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide is sourced from PubChem (CID 75420632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).