3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide

C16H24N2O4S — CID 110352359

IUPAC3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2C)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)10-16(19)17-14-4-6-15(7-5-14)23(20,21)18-8-9-22-11-13(18)3/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)
InChIKeyHRYUTDFFNSNUIJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.08
Rot. Bonds5

About 3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide

3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide (PubChem CID 110352359) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide
PubChem CID110352359
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2C)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)10-16(19)17-14-4-6-15(7-5-14)23(20,21)18-8-9-22-11-13(18)3/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)
InChIKeyHRYUTDFFNSNUIJ-UHFFFAOYSA-N
XLogP2.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
CID 110352396
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide
CID 110352360
benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate
CID 110352392
N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343681
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide
CID 110352399
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 155180653
1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea
CID 110352480
4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367
(E)-3-[4-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]prop-2-enoic acid
CID 106773963
N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343683
3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343522

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide (CID 110352359) is 3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide is CC(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2C)cc1.
What is the InChIKey of 3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide?
The InChIKey is HRYUTDFFNSNUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)10-16(19)17-14-4-6-15(7-5-14)23(20,21)18-8-9-22-11-13(18)3/h4-7,12-13H,8-11H2,1-3H3,(H,17,19).
What are the key properties of 3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide?
3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide has a molecular weight of 340.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide is sourced from PubChem (CID 110352359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).