N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide

C16H24N2O4S — CID 110343756

IUPACN-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-4-9-17-16(19)14-5-7-15(8-6-14)23(20,21)18-10-11-22-13(2)12-18/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyJWNBHHZSELBFMC-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.63
Rot. Bonds6

About N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide

N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 110343756) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide
PubChem CID110343756
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-4-9-17-16(19)14-5-7-15(8-6-14)23(20,21)18-10-11-22-13(2)12-18/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyJWNBHHZSELBFMC-UHFFFAOYSA-N
XLogP1.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.63
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

4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide
CID 110343792
N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372
4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51294950
N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 9414256
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343753
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352403
(4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343773
3-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]propyl-dimethylazanium
CID 8886355
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide (CID 110343756) is N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide is CCCCNC(=O)c1ccc(S(=O)(=O)N2CCOC(C)C2)cc1.
What is the InChIKey of N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is JWNBHHZSELBFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-4-9-17-16(19)14-5-7-15(8-6-14)23(20,21)18-10-11-22-13(2)12-18/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19).
What are the key properties of N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide?
N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 110343756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).