N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C25H41N3O4S — CID 43049020

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCCC(CC)C(CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCOCC1
InChIInChI=1S/C25H41N3O4S/c1-3-22(4-2)24(27-16-18-32-19-17-27)20-26-25(29)13-10-21-8-11-23(12-9-21)33(30,31)28-14-6-5-7-15-28/h8-9,11-12,22,24H,3-7,10,13-20H2,1-2H3,(H,26,29)
InChIKeyNMNOMRCVOIZZEV-UHFFFAOYSA-N
MW479.69 g/mol
LogP3.05
Rot. Bonds11

About N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 43049020) has the molecular formula C25H41N3O4S and a molecular weight of 479.69 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID43049020
Molecular FormulaC25H41N3O4S
Molecular Weight479.69 g/mol
Exact Mass479.28
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCCC(CC)C(CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCOCC1
InChIInChI=1S/C25H41N3O4S/c1-3-22(4-2)24(27-16-18-32-19-17-27)20-26-25(29)13-10-21-8-11-23(12-9-21)33(30,31)28-14-6-5-7-15-28/h8-9,11-12,22,24H,3-7,10,13-20H2,1-2H3,(H,26,29)
InChIKeyNMNOMRCVOIZZEV-UHFFFAOYSA-N
XLogP3.05
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.69
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methyl-2-morpholin-4-ylbutyl)propanamide
CID 55520546
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-methoxyphenyl)propanamide
CID 75691751
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55657990
N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43016058
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide
CID 134053099
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 42907294
N-(4-morpholin-4-ylbutyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55742177
N-(2-acetamidoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 9204753
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 55550061
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 55652257

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 43049020) is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is CCC(CC)C(CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is NMNOMRCVOIZZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O4S/c1-3-22(4-2)24(27-16-18-32-19-17-27)20-26-25(29)13-10-21-8-11-23(12-9-21)33(30,31)28-14-6-5-7-15-28/h8-9,11-12,22,24H,3-7,10,13-20H2,1-2H3,(H,26,29).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 479.69 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 43049020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).