3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide

C16H27N3O4S — CID 119686501

IUPAC3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
SMILESCCOc1ccc(NC(=O)CC(C)N)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C16H27N3O4S/c1-5-19(6-2)24(21,22)15-11-13(8-9-14(15)23-7-3)18-16(20)10-12(4)17/h8-9,11-12H,5-7,10,17H2,1-4H3,(H,18,20)
InChIKeyDJDWWNUXRGGAGS-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.79
Rot. Bonds9

About 3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide

3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide (PubChem CID 119686501) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
PubChem CID119686501
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
SMILESCCOc1ccc(NC(=O)CC(C)N)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C16H27N3O4S/c1-5-19(6-2)24(21,22)15-11-13(8-9-14(15)23-7-3)18-16(20)10-12(4)17/h8-9,11-12H,5-7,10,17H2,1-4H3,(H,18,20)
InChIKeyDJDWWNUXRGGAGS-UHFFFAOYSA-N
XLogP1.79
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55337258
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 24559093
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 112764541
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide?
The IUPAC name of 3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide (CID 119686501) is 3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide.
What is the SMILES notation for 3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide?
The canonical SMILES for 3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide is CCOc1ccc(NC(=O)CC(C)N)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of 3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide?
The InChIKey is DJDWWNUXRGGAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-5-19(6-2)24(21,22)15-11-13(8-9-14(15)23-7-3)18-16(20)10-12(4)17/h8-9,11-12H,5-7,10,17H2,1-4H3,(H,18,20).
What are the key properties of 3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide?
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide has a molecular weight of 357.48 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide is sourced from PubChem (CID 119686501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).