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

C26H34N2O4S — CID 55689992

IUPACN-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H34N2O4S/c29-25(27-26(22-7-3-1-4-8-22)23-9-5-2-6-10-23)16-13-21-11-14-24(15-12-21)33(30,31)28-17-19-32-20-18-28/h1,3-4,7-8,11-12,14-15,23,26H,2,5-6,9-10,13,16-20H2,(H,27,29)
InChIKeyFXCSWMFCASRPQQ-UHFFFAOYSA-N
MW470.64 g/mol
LogP4.08
Rot. Bonds8

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

N-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 55689992) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID55689992
Molecular FormulaC26H34N2O4S
Molecular Weight470.64 g/mol
Exact Mass470.22
IUPAC NameN-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H34N2O4S/c29-25(27-26(22-7-3-1-4-8-22)23-9-5-2-6-10-23)16-13-21-11-14-24(15-12-21)33(30,31)28-17-19-32-20-18-28/h1,3-4,7-8,11-12,14-15,23,26H,2,5-6,9-10,13,16-20H2,(H,27,29)
InChIKeyFXCSWMFCASRPQQ-UHFFFAOYSA-N
XLogP4.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17468734
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 55652257
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55690967
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-[1-(3-bromophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43873920
3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
CID 119390011
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 98518961
N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991439
methyl 3-phenyl-3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propanoate
CID 46483405
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 28557563

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 55689992) is N-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is FXCSWMFCASRPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4S/c29-25(27-26(22-7-3-1-4-8-22)23-9-5-2-6-10-23)16-13-21-11-14-24(15-12-21)33(30,31)28-17-19-32-20-18-28/h1,3-4,7-8,11-12,14-15,23,26H,2,5-6,9-10,13,16-20H2,(H,27,29).
What are the key properties of N-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 470.64 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55689992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).