N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide

C26H42N2O3S — CID 161009940

IUPACN-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(CC(=O)NS(=O)(=O)Cc2ccccc2CNC(C)CC2CCCCC2)CC1
InChIInChI=1S/C26H42N2O3S/c1-20-12-14-23(15-13-20)17-26(29)28-32(30,31)19-25-11-7-6-10-24(25)18-27-21(2)16-22-8-4-3-5-9-22/h6-7,10-11,20-23,27H,3-5,8-9,12-19H2,1-2H3,(H,28,29)
InChIKeyTWZRHIIRBWFUPK-UHFFFAOYSA-N
MW462.70 g/mol
LogP5.30
Rot. Bonds10

About N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide

N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide (PubChem CID 161009940) has the molecular formula C26H42N2O3S and a molecular weight of 462.70 g/mol. Its IUPAC name is N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide
PubChem CID161009940
Molecular FormulaC26H42N2O3S
Molecular Weight462.70 g/mol
Exact Mass462.29
IUPAC NameN-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(CC(=O)NS(=O)(=O)Cc2ccccc2CNC(C)CC2CCCCC2)CC1
InChIInChI=1S/C26H42N2O3S/c1-20-12-14-23(15-13-20)17-26(29)28-32(30,31)19-25-11-7-6-10-24(25)18-27-21(2)16-22-8-4-3-5-9-22/h6-7,10-11,20-23,27H,3-5,8-9,12-19H2,1-2H3,(H,28,29)
InChIKeyTWZRHIIRBWFUPK-UHFFFAOYSA-N
XLogP5.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.70
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide with MolForge

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Related Compounds

1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-N-(2,3-dihydroxypropyl)methanesulfonamide
CID 146000039
methyl (2R)-2-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonylamino]propanoate
CID 151105326
2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 18121313
2-[3-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]propanoylamino]acetic acid
CID 161002918
(3S)-3-amino-1-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-5-methylhexan-2-one;dihydrochloride
CID 159904114
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-1-propan-2-ylurea
CID 154205114
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516
2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
CID 63988689
2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline
CID 69154711
1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene
CID 68948994
1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 68950856
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide?
The IUPAC name of N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide (CID 161009940) is N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide?
The canonical SMILES for N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide is CC1CCC(CC(=O)NS(=O)(=O)Cc2ccccc2CNC(C)CC2CCCCC2)CC1.
What is the InChIKey of N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide?
The InChIKey is TWZRHIIRBWFUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O3S/c1-20-12-14-23(15-13-20)17-26(29)28-32(30,31)19-25-11-7-6-10-24(25)18-27-21(2)16-22-8-4-3-5-9-22/h6-7,10-11,20-23,27H,3-5,8-9,12-19H2,1-2H3,(H,28,29).
What are the key properties of N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide?
N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide has a molecular weight of 462.70 g/mol, XLogP of 5.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-2-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 161009940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).