2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide

C17H26N2O3S — CID 56783962

IUPAC2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-13(19-23(2,21)22)17(20)18-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-7,13-14,16,19H,8-12H2,1-2H3,(H,18,20)
InChIKeyYENROLPIZDEXAE-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.01
Rot. Bonds6

About 2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide

2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide (PubChem CID 56783962) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide
PubChem CID56783962
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-13(19-23(2,21)22)17(20)18-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-7,13-14,16,19H,8-12H2,1-2H3,(H,18,20)
InChIKeyYENROLPIZDEXAE-UHFFFAOYSA-N
XLogP2.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid
CID 122038120
1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea
CID 111109574
1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea
CID 84593172
3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide
CID 134349706
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide
CID 134349887
N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106123788
2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid
CID 119237415
N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide
CID 134349733
(2S)-2-[2-(methanesulfonamido)propanoylamino]-2-phenylacetic acid
CID 119372607
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107019674
N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide
CID 75407157

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide?
The IUPAC name of 2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide (CID 56783962) is 2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide is CC(NS(C)(=O)=O)C(=O)NCC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide?
The InChIKey is YENROLPIZDEXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13(19-23(2,21)22)17(20)18-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-7,13-14,16,19H,8-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide?
2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide has a molecular weight of 338.47 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 56783962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).