2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide

C26H41N3O3S — CID 55521776

IUPAC2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
SMILESCC(C)CC(CNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)N1CCOCC1
InChIInChI=1S/C26H41N3O3S/c1-20(2)16-22(29-12-14-32-15-13-29)18-28-26(31)23-10-6-7-11-24(23)33-19-25(30)27-17-21-8-4-3-5-9-21/h6-7,10-11,20-22H,3-5,8-9,12-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyBUFZKDJCNWMJLZ-UHFFFAOYSA-N
MW475.70 g/mol
LogP3.95
Rot. Bonds11

About 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide

2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide (PubChem CID 55521776) has the molecular formula C26H41N3O3S and a molecular weight of 475.70 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide.

Molecular Properties

Compound Name2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
PubChem CID55521776
Molecular FormulaC26H41N3O3S
Molecular Weight475.70 g/mol
Exact Mass475.29
IUPAC Name2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
SMILESCC(C)CC(CNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)N1CCOCC1
InChIInChI=1S/C26H41N3O3S/c1-20(2)16-22(29-12-14-32-15-13-29)18-28-26(31)23-10-6-7-11-24(23)33-19-25(30)27-17-21-8-4-3-5-9-21/h6-7,10-11,20-22H,3-5,8-9,12-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyBUFZKDJCNWMJLZ-UHFFFAOYSA-N
XLogP3.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.70
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-2-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]sulfanylacetamide
CID 18164498
2-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 110403268
N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 119384780
2-ethoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027029
2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide
CID 55333923
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(furan-3-ylmethyl)benzamide
CID 55838539
4-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]butanoic acid
CID 119170730
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide
CID 112793176
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365131
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887919
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 55576173
3-hydroxy-N-(4-methyl-2-morpholin-4-ylpentyl)naphthalene-2-carboxamide
CID 46540851

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
The IUPAC name of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide (CID 55521776) is 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide.
What is the SMILES notation for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
The canonical SMILES for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide is CC(C)CC(CNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)N1CCOCC1.
What is the InChIKey of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
The InChIKey is BUFZKDJCNWMJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3S/c1-20(2)16-22(29-12-14-32-15-13-29)18-28-26(31)23-10-6-7-11-24(23)33-19-25(30)27-17-21-8-4-3-5-9-21/h6-7,10-11,20-22H,3-5,8-9,12-19H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide has a molecular weight of 475.70 g/mol, XLogP of 3.95, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide is sourced from PubChem (CID 55521776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).