N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C20H30N2O4S — CID 24678012

IUPACN-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC1CCCCC1
InChIInChI=1S/C20H30N2O4S/c23-20(21-16-18-4-2-1-3-5-18)11-8-17-6-9-19(10-7-17)27(24,25)22-12-14-26-15-13-22/h6-7,9-10,18H,1-5,8,11-16H2,(H,21,23)
InChIKeyPUGDIKYBVNBMSO-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.34
Rot. Bonds7

About N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 24678012) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID24678012
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC1CCCCC1
InChIInChI=1S/C20H30N2O4S/c23-20(21-16-18-4-2-1-3-5-18)11-8-17-6-9-19(10-7-17)27(24,25)22-12-14-26-15-13-22/h6-7,9-10,18H,1-5,8,11-16H2,(H,21,23)
InChIKeyPUGDIKYBVNBMSO-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.34
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-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119537712
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55690967
N-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55689992
3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
CID 119390011
3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide
CID 91768015
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 3906998
3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511221
N-(4-morpholin-4-ylbutyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55742177
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55723412
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 98518961

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 24678012) is N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is PUGDIKYBVNBMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c23-20(21-16-18-4-2-1-3-5-18)11-8-17-6-9-19(10-7-17)27(24,25)22-12-14-26-15-13-22/h6-7,9-10,18H,1-5,8,11-16H2,(H,21,23).
What are the key properties of N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 394.54 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24678012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).