N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide

C15H22N2O4S — CID 110352403

IUPACN-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-4-15(18)16-13-5-7-14(8-6-13)22(19,20)17-9-10-21-12(2)11-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyGZLVSAIPOGUCIR-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.83
Rot. Bonds5

About N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide

N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide (PubChem CID 110352403) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide.

Molecular Properties

Compound NameN-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide
PubChem CID110352403
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-4-15(18)16-13-5-7-14(8-6-13)22(19,20)17-9-10-21-12(2)11-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyGZLVSAIPOGUCIR-UHFFFAOYSA-N
XLogP1.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide
CID 25281428
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343756
4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide
CID 110343792
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 60822203
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
(4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343773
4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343753
N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 81214143
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide?
The IUPAC name of N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide (CID 110352403) is N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide.
What is the SMILES notation for N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide?
The canonical SMILES for N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide is CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOC(C)C2)cc1.
What is the InChIKey of N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide?
The InChIKey is GZLVSAIPOGUCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-4-15(18)16-13-5-7-14(8-6-13)22(19,20)17-9-10-21-12(2)11-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide?
N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide has a molecular weight of 326.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide is sourced from PubChem (CID 110352403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).