N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide

C22H34N2O4S — CID 39711649

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H34N2O4S/c25-21(18-29(26,27)17-7-10-20-8-3-1-4-9-20)23-19-22(11-5-2-6-12-22)24-13-15-28-16-14-24/h1,3-4,8-9H,2,5-7,10-19H2,(H,23,25)
InChIKeyXHSLARORHNGABI-UHFFFAOYSA-N
MW422.59 g/mol
LogP2.19
Rot. Bonds9

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide (PubChem CID 39711649) has the molecular formula C22H34N2O4S and a molecular weight of 422.59 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide
PubChem CID39711649
Molecular FormulaC22H34N2O4S
Molecular Weight422.59 g/mol
Exact Mass422.22
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H34N2O4S/c25-21(18-29(26,27)17-7-10-20-8-3-1-4-9-20)23-19-22(11-5-2-6-12-22)24-13-15-28-16-14-24/h1,3-4,8-9H,2,5-7,10-19H2,(H,23,25)
InChIKeyXHSLARORHNGABI-UHFFFAOYSA-N
XLogP2.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 112505103
3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 31328580
2-(2-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994960
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate
CID 55475345
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 55687640
1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide
CID 29230028
N-[(2S)-2-hydroxy-3-phenylpropyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide
CID 97081899
2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 4803583
2-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-4-phenylpyridine-3-carboxamide
CID 77091302
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55409899

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide (CID 39711649) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide is O=C(CS(=O)(=O)CCCc1ccccc1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide?
The InChIKey is XHSLARORHNGABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4S/c25-21(18-29(26,27)17-7-10-20-8-3-1-4-9-20)23-19-22(11-5-2-6-12-22)24-13-15-28-16-14-24/h1,3-4,8-9H,2,5-7,10-19H2,(H,23,25).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide has a molecular weight of 422.59 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide is sourced from PubChem (CID 39711649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).