4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide

C17H26N2O4S — CID 110343792

IUPAC4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(S(=O)(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-4-5-10-18-17(20)15-6-8-16(9-7-15)24(21,22)19-11-12-23-14(2)13-19/h6-9,14H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyWHXIWGYKGYBSIA-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.02
Rot. Bonds7

About 4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide

4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide (PubChem CID 110343792) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide.

Molecular Properties

Compound Name4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide
PubChem CID110343792
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(S(=O)(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-4-5-10-18-17(20)15-6-8-16(9-7-15)24(21,22)19-11-12-23-14(2)13-19/h6-9,14H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyWHXIWGYKGYBSIA-UHFFFAOYSA-N
XLogP2.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343756
N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51294950
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343753
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 9414256
(4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343773
N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352403
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]benzamide
CID 55811580

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide?
The IUPAC name of 4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide (CID 110343792) is 4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide.
What is the SMILES notation for 4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide?
The canonical SMILES for 4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide is CCCCCNC(=O)c1ccc(S(=O)(=O)N2CCOC(C)C2)cc1.
What is the InChIKey of 4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide?
The InChIKey is WHXIWGYKGYBSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-4-5-10-18-17(20)15-6-8-16(9-7-15)24(21,22)19-11-12-23-14(2)13-19/h6-9,14H,3-5,10-13H2,1-2H3,(H,18,20).
What are the key properties of 4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide?
4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide has a molecular weight of 354.47 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide is sourced from PubChem (CID 110343792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).