4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide

C17H26N2O4S — CID 110626702

IUPAC4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide
SMILESCc1ccccc1CCCC(=O)NCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H26N2O4S/c1-15-5-2-3-6-16(15)7-4-8-17(20)18-9-14-24(21,22)19-10-12-23-13-11-19/h2-3,5-6H,4,7-14H2,1H3,(H,18,20)
InChIKeyHQZKYYIIJAOGRB-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.10
Rot. Bonds8

About 4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide

4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide (PubChem CID 110626702) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide
PubChem CID110626702
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide
SMILESCc1ccccc1CCCC(=O)NCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H26N2O4S/c1-15-5-2-3-6-16(15)7-4-8-17(20)18-9-14-24(21,22)19-10-12-23-13-11-19/h2-3,5-6H,4,7-14H2,1H3,(H,18,20)
InChIKeyHQZKYYIIJAOGRB-UHFFFAOYSA-N
XLogP1.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide
CID 110626706
N-(2-morpholin-4-ylsulfonylethyl)-5-oxo-5-phenylpentanamide
CID 110354154
1-ethyl-2-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111360244
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
CID 110345257
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023
N-methyl-4-(2-methylphenyl)butanamide
CID 67667120
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-(2-morpholin-4-ylsulfonylethyl)propanamide
CID 135999661
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide
CID 25285439
3-morpholin-4-ylsulfonyl-N-phenylpropanamide
CID 60667161
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide?
The IUPAC name of 4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide (CID 110626702) is 4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide.
What is the SMILES notation for 4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide?
The canonical SMILES for 4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide is Cc1ccccc1CCCC(=O)NCCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide?
The InChIKey is HQZKYYIIJAOGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-15-5-2-3-6-16(15)7-4-8-17(20)18-9-14-24(21,22)19-10-12-23-13-11-19/h2-3,5-6H,4,7-14H2,1H3,(H,18,20).
What are the key properties of 4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide?
4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide has a molecular weight of 354.47 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide is sourced from PubChem (CID 110626702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).