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

C14H23N3O4S — CID 119273244

IUPAC4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
SMILESCCOc1ccc(NC(=O)CCCN)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H23N3O4S/c1-4-21-12-8-7-11(16-14(18)6-5-9-15)10-13(12)22(19,20)17(2)3/h7-8,10H,4-6,9,15H2,1-3H3,(H,16,18)
InChIKeyIESOMPWLHGRVDC-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.01
Rot. Bonds8

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

4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide (PubChem CID 119273244) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
PubChem CID119273244
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
SMILESCCOc1ccc(NC(=O)CCCN)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H23N3O4S/c1-4-21-12-8-7-11(16-14(18)6-5-9-15)10-13(12)22(19,20)17(2)3/h7-8,10H,4-6,9,15H2,1-3H3,(H,16,18)
InChIKeyIESOMPWLHGRVDC-UHFFFAOYSA-N
XLogP1.01
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-4-oxobutyl]carbamate
CID 9470236
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide
CID 26421713
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 9470167
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984636
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride
CID 119273235

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide (CID 119273244) is 4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide is CCOc1ccc(NC(=O)CCCN)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide?
The InChIKey is IESOMPWLHGRVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-4-21-12-8-7-11(16-14(18)6-5-9-15)10-13(12)22(19,20)17(2)3/h7-8,10H,4-6,9,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide?
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide has a molecular weight of 329.42 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide is sourced from PubChem (CID 119273244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).