N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C27H36N2O4S — CID 55802503

IUPACN-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1cccc(C2(CNC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCCCC2)c1
InChIInChI=1S/C27H36N2O4S/c1-22-6-5-7-24(20-22)27(14-3-2-4-15-27)21-28-26(30)13-10-23-8-11-25(12-9-23)34(31,32)29-16-18-33-19-17-29/h5-9,11-12,20H,2-4,10,13-19,21H2,1H3,(H,28,30)
InChIKeyJAVQISPADCFXNL-UHFFFAOYSA-N
MW484.66 g/mol
LogP3.97
Rot. Bonds8

About N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 55802503) has the molecular formula C27H36N2O4S and a molecular weight of 484.66 g/mol. Its IUPAC name is N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID55802503
Molecular FormulaC27H36N2O4S
Molecular Weight484.66 g/mol
Exact Mass484.24
IUPAC NameN-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1cccc(C2(CNC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCCCC2)c1
InChIInChI=1S/C27H36N2O4S/c1-22-6-5-7-24(20-22)27(14-3-2-4-15-27)21-28-26(30)13-10-23-8-11-25(12-9-23)34(31,32)29-16-18-33-19-17-29/h5-9,11-12,20H,2-4,10,13-19,21H2,1H3,(H,28,30)
InChIKeyJAVQISPADCFXNL-UHFFFAOYSA-N
XLogP3.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.66
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 55658582
3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide
CID 32545458
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate
CID 55561053
N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 100517750
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 55709889

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 55802503) is N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is Cc1cccc(C2(CNC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCCCC2)c1.
What is the InChIKey of N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is JAVQISPADCFXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4S/c1-22-6-5-7-24(20-22)27(14-3-2-4-15-27)21-28-26(30)13-10-23-8-11-25(12-9-23)34(31,32)29-16-18-33-19-17-29/h5-9,11-12,20H,2-4,10,13-19,21H2,1H3,(H,28,30).
What are the key properties of N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 484.66 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55802503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).