(3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone

C15H23N3O4S — CID 110614469

IUPAC(3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone
SMILESCC(C)NS(=O)(=O)Nc1cccc(C(=O)N2CCOCC2C)c1
InChIInChI=1S/C15H23N3O4S/c1-11(2)16-23(20,21)17-14-6-4-5-13(9-14)15(19)18-7-8-22-10-12(18)3/h4-6,9,11-12,16-17H,7-8,10H2,1-3H3
InChIKeyCARKVUCOWVSTET-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.20
Rot. Bonds5

About (3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone

(3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone (PubChem CID 110614469) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone
PubChem CID110614469
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone
SMILESCC(C)NS(=O)(=O)Nc1cccc(C(=O)N2CCOCC2C)c1
InChIInChI=1S/C15H23N3O4S/c1-11(2)16-23(20,21)17-14-6-4-5-13(9-14)15(19)18-7-8-22-10-12(18)3/h4-6,9,11-12,16-17H,7-8,10H2,1-3H3
InChIKeyCARKVUCOWVSTET-UHFFFAOYSA-N
XLogP1.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(cyclopentylsulfamoylamino)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110614470
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
CID 110352919
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 110352918
2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352840
1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110352872
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110671836
N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354676
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 47174328
2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352861
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-(3-methylphenyl)acetamide
CID 110671847
[(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone
CID 96536811

Frequently Asked Questions

What is the IUPAC name of (3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone?
The IUPAC name of (3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone (CID 110614469) is (3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone.
What is the SMILES notation for (3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone?
The canonical SMILES for (3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone is CC(C)NS(=O)(=O)Nc1cccc(C(=O)N2CCOCC2C)c1.
What is the InChIKey of (3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone?
The InChIKey is CARKVUCOWVSTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11(2)16-23(20,21)17-14-6-4-5-13(9-14)15(19)18-7-8-22-10-12(18)3/h4-6,9,11-12,16-17H,7-8,10H2,1-3H3.
What are the key properties of (3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone?
(3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone has a molecular weight of 341.43 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone is sourced from PubChem (CID 110614469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).