N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide

C25H33NO3S — CID 46419968

IUPACN-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide
SMILESCC(C)C(NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H33NO3S/c1-18(2)24(22-14-12-21(13-15-22)20-9-5-4-6-10-20)26-25(27)23-11-7-8-19(16-23)17-30(3,28)29/h7-8,11-16,18,20,24H,4-6,9-10,17H2,1-3H3,(H,26,27)
InChIKeyGCZOGJXEVQNFOV-UHFFFAOYSA-N
MW427.61 g/mol
LogP5.41
Rot. Bonds7

About N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide

N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 46419968) has the molecular formula C25H33NO3S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID46419968
Molecular FormulaC25H33NO3S
Molecular Weight427.61 g/mol
Exact Mass427.22
IUPAC NameN-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide
SMILESCC(C)C(NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H33NO3S/c1-18(2)24(22-14-12-21(13-15-22)20-9-5-4-6-10-20)26-25(27)23-11-7-8-19(16-23)17-30(3,28)29/h7-8,11-16,18,20,24H,4-6,9-10,17H2,1-3H3,(H,26,27)
InChIKeyGCZOGJXEVQNFOV-UHFFFAOYSA-N
XLogP5.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.61
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide
CID 34081623
3-(chloromethyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 43346663
N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide
CID 38335818
3-(tert-butylsulfamoylmethyl)-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]benzamide
CID 52518611
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfonylmethyl)benzamide
CID 9117814
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
propan-2-yl (3R)-3-[[3-(methylsulfonylmethyl)benzoyl]amino]-3-phenylpropanoate
CID 26975678
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 134051669
3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
CID 55069258
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
CID 52506120
3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066743
3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704006

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide (CID 46419968) is N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide is CC(C)C(NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is GCZOGJXEVQNFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO3S/c1-18(2)24(22-14-12-21(13-15-22)20-9-5-4-6-10-20)26-25(27)23-11-7-8-19(16-23)17-30(3,28)29/h7-8,11-16,18,20,24H,4-6,9-10,17H2,1-3H3,(H,26,27).
What are the key properties of N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide?
N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 427.61 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 46419968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).