3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide

C20H25N3O5S — CID 56516978

IUPAC3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(N)=O)c(C)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H25N3O5S/c1-12-10-14(7-8-15(12)18(21)24)22-19(25)13-6-9-16(28-5)17(11-13)29(26,27)23-20(2,3)4/h6-11,23H,1-5H3,(H2,21,24)(H,22,25)
InChIKeyXFPXBVZATQHIJK-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.43
Rot. Bonds6

About 3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide

3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide (PubChem CID 56516978) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide
PubChem CID56516978
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(N)=O)c(C)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H25N3O5S/c1-12-10-14(7-8-15(12)18(21)24)22-19(25)13-6-9-16(28-5)17(11-13)29(26,27)23-20(2,3)4/h6-11,23H,1-5H3,(H2,21,24)(H,22,25)
InChIKeyXFPXBVZATQHIJK-UHFFFAOYSA-N
XLogP2.43
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
CID 26579178
3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
CID 26578598
3-(tert-butylsulfamoyl)-N-(9H-fluoren-2-yl)-4-methoxybenzamide
CID 26889796
3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55987169
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742199
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 27693844
N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36704961
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide
CID 47085140
N-(4-carbamoyl-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 56518228
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide (CID 56516978) is 3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(C(N)=O)c(C)c2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide?
The InChIKey is XFPXBVZATQHIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-12-10-14(7-8-15(12)18(21)24)22-19(25)13-6-9-16(28-5)17(11-13)29(26,27)23-20(2,3)4/h6-11,23H,1-5H3,(H2,21,24)(H,22,25).
What are the key properties of 3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide?
3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide has a molecular weight of 419.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 56516978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).