3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide

C17H21N3O3S — CID 35028286

IUPAC3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C17H21N3O3S/c1-12-8-9-18-15(10-12)19-16(21)13-6-5-7-14(11-13)24(22,23)20-17(2,3)4/h5-11,20H,1-4H3,(H,18,19,21)
InChIKeyLOUMUMDHRDCAIR-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.72
Rot. Bonds4

About 3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide

3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 35028286) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID35028286
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C17H21N3O3S/c1-12-8-9-18-15(10-12)19-16(21)13-6-5-7-14(11-13)24(22,23)20-17(2,3)4/h5-11,20H,1-4H3,(H,18,19,21)
InChIKeyLOUMUMDHRDCAIR-UHFFFAOYSA-N
XLogP2.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide
CID 35344934
3-[(4-methyl-2-pyridinyl)sulfamoyl]-N-phenylbenzamide
CID 27187007
3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9098405
3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 8714252
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 24980754
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide
CID 9411270
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794
3-(tert-butylsulfamoyl)-N-cyclopentylbenzamide
CID 9214321
N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 39736173
3-[(3-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1040986

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide (CID 35028286) is 3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is LOUMUMDHRDCAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-8-9-18-15(10-12)19-16(21)13-6-5-7-14(11-13)24(22,23)20-17(2,3)4/h5-11,20H,1-4H3,(H,18,19,21).
What are the key properties of 3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide?
3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 35028286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).