4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride

C15H28ClN3O4S2 — CID 120591781

IUPAC4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC(=O)CC(CN)OC)s1.Cl
InChIInChI=1S/C15H27N3O4S2.ClH/c1-4-18(5-2)24(20,21)15-7-6-13(23-15)8-9-17-14(19)10-12(11-16)22-3;/h6-7,12H,4-5,8-11,16H2,1-3H3,(H,17,19);1H
InChIKeyLJSHZTKJJBQPKD-UHFFFAOYSA-N
MW413.99 g/mol
LogP1.22
Rot. Bonds11

About 4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120591781) has the molecular formula C15H28ClN3O4S2 and a molecular weight of 413.99 g/mol. Its IUPAC name is 4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride
PubChem CID120591781
Molecular FormulaC15H28ClN3O4S2
Molecular Weight413.99 g/mol
Exact Mass413.12
IUPAC Name4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC(=O)CC(CN)OC)s1.Cl
InChIInChI=1S/C15H27N3O4S2.ClH/c1-4-18(5-2)24(20,21)15-7-6-13(23-15)8-9-17-14(19)10-12(11-16)22-3;/h6-7,12H,4-5,8-11,16H2,1-3H3,(H,17,19);1H
InChIKeyLJSHZTKJJBQPKD-UHFFFAOYSA-N
XLogP1.22
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.99
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119319144
4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride
CID 120587130
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-(2-methoxy-3,3-dimethylbutyl)guanidine;hydroiodide
CID 111710196
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111405286
1-butyl-3-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylguanidine;hydroiodide
CID 111150137
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110976239
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methyl-3-[2-(3-methylbutoxy)ethyl]guanidine
CID 111971830
N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111384419
(2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931321
5-(2-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54879826
4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120594933
4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide
CID 103155650

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride (CID 120591781) is 4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)CC(CN)OC)s1.Cl.
What is the InChIKey of 4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is LJSHZTKJJBQPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S2.ClH/c1-4-18(5-2)24(20,21)15-7-6-13(23-15)8-9-17-14(19)10-12(11-16)22-3;/h6-7,12H,4-5,8-11,16H2,1-3H3,(H,17,19);1H.
What are the key properties of 4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 413.99 g/mol, XLogP of 1.22, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120591781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).