2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide

C19H30N2O4S — CID 46549642

IUPAC2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H30N2O4S/c1-4-6-7-16(5-2)19(22)20-17-9-8-15(3)18(14-17)26(23,24)21-10-12-25-13-11-21/h8-9,14,16H,4-7,10-13H2,1-3H3,(H,20,22)
InChIKeyRKDYGEGNYDBVMO-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.17
Rot. Bonds8

About 2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide

2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide (PubChem CID 46549642) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide
PubChem CID46549642
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H30N2O4S/c1-4-6-7-16(5-2)19(22)20-17-9-8-15(3)18(14-17)26(23,24)21-10-12-25-13-11-21/h8-9,14,16H,4-7,10-13H2,1-3H3,(H,20,22)
InChIKeyRKDYGEGNYDBVMO-UHFFFAOYSA-N
XLogP3.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide
CID 97347639
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide
CID 26521362
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 9243660
2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 46569060
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55909628
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)propanamide
CID 7689037
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 42987634
2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 46972255
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 7689032

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide?
The IUPAC name of 2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide (CID 46549642) is 2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide?
The canonical SMILES for 2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide is CCCCC(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide?
The InChIKey is RKDYGEGNYDBVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-4-6-7-16(5-2)19(22)20-17-9-8-15(3)18(14-17)26(23,24)21-10-12-25-13-11-21/h8-9,14,16H,4-7,10-13H2,1-3H3,(H,20,22).
What are the key properties of 2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide?
2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide has a molecular weight of 382.53 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide is sourced from PubChem (CID 46549642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).