4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide

C13H19ClN2O4S — CID 120588902

IUPAC4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O4S/c1-20-11(9-15)8-13(17)16-6-7-21(18,19)12-4-2-10(14)3-5-12/h2-5,11H,6-9,15H2,1H3,(H,16,17)
InChIKeyFOWWQIAKEFZXMB-UHFFFAOYSA-N
MW334.82 g/mol
LogP0.59
Rot. Bonds8

About 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide

4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide (PubChem CID 120588902) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.82 g/mol. Its IUPAC name is 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide
PubChem CID120588902
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.82 g/mol
Exact Mass334.08
IUPAC Name4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O4S/c1-20-11(9-15)8-13(17)16-6-7-21(18,19)12-4-2-10(14)3-5-12/h2-5,11H,6-9,15H2,1H3,(H,16,17)
InChIKeyFOWWQIAKEFZXMB-UHFFFAOYSA-N
XLogP0.59
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-(benzenesulfonyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120590590
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide
CID 120588649
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide
CID 120597523
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide
CID 120590079
4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride
CID 120597522
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide (CID 120588902) is 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide is COC(CN)CC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide?
The InChIKey is FOWWQIAKEFZXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-20-11(9-15)8-13(17)16-6-7-21(18,19)12-4-2-10(14)3-5-12/h2-5,11H,6-9,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide?
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide has a molecular weight of 334.82 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide is sourced from PubChem (CID 120588902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).