2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide

C16H27N3O3S — CID 34603259

IUPAC2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
SMILESCCCCN(CC)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C
InChIInChI=1S/C16H27N3O3S/c1-5-7-8-19(6-2)11-16(20)18-15-10-14(23(17,21)22)9-12(3)13(15)4/h9-10H,5-8,11H2,1-4H3,(H,18,20)(H2,17,21,22)
InChIKeyLJCIRAOQUCFJQB-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.01
Rot. Bonds8

About 2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide

2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide (PubChem CID 34603259) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
PubChem CID34603259
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
SMILESCCCCN(CC)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C
InChIInChI=1S/C16H27N3O3S/c1-5-7-8-19(6-2)11-16(20)18-15-10-14(23(17,21)22)9-12(3)13(15)4/h9-10H,5-8,11H2,1-4H3,(H,18,20)(H2,17,21,22)
InChIKeyLJCIRAOQUCFJQB-UHFFFAOYSA-N
XLogP2.01
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-(2,3-dimethyl-5-sulfamoylphenyl)urea
CID 60654305
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 55437048
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60848496
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 47077896
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide
CID 9141472

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide (CID 34603259) is 2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide is CCCCN(CC)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C.
What is the InChIKey of 2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The InChIKey is LJCIRAOQUCFJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-5-7-8-19(6-2)11-16(20)18-15-10-14(23(17,21)22)9-12(3)13(15)4/h9-10H,5-8,11H2,1-4H3,(H,18,20)(H2,17,21,22).
What are the key properties of 2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide has a molecular weight of 341.48 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide is sourced from PubChem (CID 34603259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).