3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide

C15H22N2O4S — CID 110343522

IUPAC3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2C)c1
InChIInChI=1S/C15H22N2O4S/c1-11(2)16-15(18)13-5-4-6-14(9-13)22(19,20)17-7-8-21-10-12(17)3/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyARZOAQXFGIMQRC-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.23
Rot. Bonds4

About 3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide

3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide (PubChem CID 110343522) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
PubChem CID110343522
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2C)c1
InChIInChI=1S/C15H22N2O4S/c1-11(2)16-15(18)13-5-4-6-14(9-13)22(19,20)17-7-8-21-10-12(17)3/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyARZOAQXFGIMQRC-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

N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343559
N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343552
N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343681
4-methyl-N-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 110352466
1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea
CID 110352480
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 11932722
N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343683
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 134010192
N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43011512

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide (CID 110343522) is 3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2C)c1.
What is the InChIKey of 3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide?
The InChIKey is ARZOAQXFGIMQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11(2)16-15(18)13-5-4-6-14(9-13)22(19,20)17-7-8-21-10-12(17)3/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of 3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide?
3-(3-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 3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 110343522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).