3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C17H27N3O4S — CID 9476081

IUPAC3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H27N3O4S/c1-12(2)18-15(21)11-20(6)16(22)13-8-7-9-14(10-13)25(23,24)19-17(3,4)5/h7-10,12,19H,11H2,1-6H3,(H,18,21)
InChIKeyCPBMQTFQUQDMTQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.36
Rot. Bonds6

About 3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 9476081) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID9476081
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H27N3O4S/c1-12(2)18-15(21)11-20(6)16(22)13-8-7-9-14(10-13)25(23,24)19-17(3,4)5/h7-10,12,19H,11H2,1-6H3,(H,18,21)
InChIKeyCPBMQTFQUQDMTQ-UHFFFAOYSA-N
XLogP1.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46415007
N-methyl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9475347
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9439272
N-[2-(tert-butylamino)-2-oxoethyl]-3-[(4-ethoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24515644
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9476078
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9479566
N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 46415026
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119655982
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26620100
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9305406
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9476686
N-methyl-3-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9219104

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 9476081) is 3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is CPBMQTFQUQDMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-12(2)18-15(21)11-20(6)16(22)13-8-7-9-14(10-13)25(23,24)19-17(3,4)5/h7-10,12,19H,11H2,1-6H3,(H,18,21).
What are the key properties of 3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 369.49 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 9476081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).