4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide

C15H22N2O4S — CID 110343753

IUPAC4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(S(=O)(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C15H22N2O4S/c1-11(2)16-15(18)13-4-6-14(7-5-13)22(19,20)17-8-9-21-12(3)10-17/h4-7,11-12H,8-10H2,1-3H3,(H,16,18)
InChIKeyQRLPOIBDOZQAQY-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.23
Rot. Bonds4

About 4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide

4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide (PubChem CID 110343753) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
PubChem CID110343753
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(S(=O)(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C15H22N2O4S/c1-11(2)16-15(18)13-4-6-14(7-5-13)22(19,20)17-8-9-21-12(3)10-17/h4-7,11-12H,8-10H2,1-3H3,(H,16,18)
InChIKeyQRLPOIBDOZQAQY-UHFFFAOYSA-N
XLogP1.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343797
N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343756
4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51294950
4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide
CID 110343792
1-[4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenyl]ethanol
CID 62967994
4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenol
CID 62968856
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
(4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343773
(2R)-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-3-methylbutanoic acid
CID 119368860
N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 60822203
N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352403

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide (CID 110343753) is 4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(S(=O)(=O)N2CCOC(C)C2)cc1.
What is the InChIKey of 4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide?
The InChIKey is QRLPOIBDOZQAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11(2)16-15(18)13-4-6-14(7-5-13)22(19,20)17-8-9-21-12(3)10-17/h4-7,11-12H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide?
4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 1.23, 4 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-propan-2-ylbenzamide is sourced from PubChem (CID 110343753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).