5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

C17H22N4O5S — CID 46469817

IUPAC5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C17H22N4O5S/c1-5-18-27(24,25)13-7-6-11(2)14(9-13)17(23)21(4)10-16(22)19-15-8-12(3)26-20-15/h6-9,18H,5,10H2,1-4H3,(H,19,20,22)
InChIKeyAVNQUGAQUHBDMQ-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.30
Rot. Bonds7

About 5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 46469817) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID46469817
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC Name5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C17H22N4O5S/c1-5-18-27(24,25)13-7-6-11(2)14(9-13)17(23)21(4)10-16(22)19-15-8-12(3)26-20-15/h6-9,18H,5,10H2,1-4H3,(H,19,20,22)
InChIKeyAVNQUGAQUHBDMQ-UHFFFAOYSA-N
XLogP1.30
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370277
2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
CID 119206509
5-(dimethylsulfamoyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-morpholin-4-ylbenzamide
CID 46477468
5-(ethylsulfamoyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 134008752
N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride
CID 119657782
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 51101805
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55607599
5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 27827677
N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 36556440
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 38370916
3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 60947012

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (CID 46469817) is 5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CC(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is AVNQUGAQUHBDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-5-18-27(24,25)13-7-6-11(2)14(9-13)17(23)21(4)10-16(22)19-15-8-12(3)26-20-15/h6-9,18H,5,10H2,1-4H3,(H,19,20,22).
What are the key properties of 5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 394.45 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46469817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).