4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride

C16H28ClN3O4S — CID 119268072

IUPAC4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCN.Cl
InChIInChI=1S/C16H27N3O4S.ClH/c1-4-19(5-2)24(21,22)13-9-10-15(23-6-3)14(12-13)18-16(20)8-7-11-17;/h9-10,12H,4-8,11,17H2,1-3H3,(H,18,20);1H
InChIKeyYVERMSMMMVDQKE-UHFFFAOYSA-N
MW393.94 g/mol
LogP2.21
Rot. Bonds10

About 4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride

4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride (PubChem CID 119268072) has the molecular formula C16H28ClN3O4S and a molecular weight of 393.94 g/mol. Its IUPAC name is 4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
PubChem CID119268072
Molecular FormulaC16H28ClN3O4S
Molecular Weight393.94 g/mol
Exact Mass393.15
IUPAC Name4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCN.Cl
InChIInChI=1S/C16H27N3O4S.ClH/c1-4-19(5-2)24(21,22)13-9-10-15(23-6-3)14(12-13)18-16(20)8-7-11-17;/h9-10,12H,4-8,11,17H2,1-3H3,(H,18,20);1H
InChIKeyYVERMSMMMVDQKE-UHFFFAOYSA-N
XLogP2.21
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
CID 46535117
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 24509301
2-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]acetamide
CID 8501669
trans-[2-[5-(diethylsulfamoyl)-2-ethoxyanilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230478
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962896
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea
CID 8683228
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911264
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135968591
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide
CID 26891804

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride (CID 119268072) is 4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride?
The InChIKey is YVERMSMMMVDQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S.ClH/c1-4-19(5-2)24(21,22)13-9-10-15(23-6-3)14(12-13)18-16(20)8-7-11-17;/h9-10,12H,4-8,11,17H2,1-3H3,(H,18,20);1H.
What are the key properties of 4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride?
4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride is sourced from PubChem (CID 119268072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).