N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide

C24H24N2O5S — CID 55754649

IUPACN-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C24H24N2O5S/c1-16(2)32(29,30)20-13-11-17(12-14-20)23(27)26-22-10-5-4-9-21(22)24(28)25-18-7-6-8-19(15-18)31-3/h4-16H,1-3H3,(H,25,28)(H,26,27)
InChIKeyVHXHMJJUULNKEM-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.38
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide

N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide (PubChem CID 55754649) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide
PubChem CID55754649
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC NameN-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C24H24N2O5S/c1-16(2)32(29,30)20-13-11-17(12-14-20)23(27)26-22-10-5-4-9-21(22)24(28)25-18-7-6-8-19(15-18)31-3/h4-16H,1-3H3,(H,25,28)(H,26,27)
InChIKeyVHXHMJJUULNKEM-UHFFFAOYSA-N
XLogP4.38
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 55630453
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363704
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 3548121
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 17482508
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide (CID 55754649) is N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide is COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide?
The InChIKey is VHXHMJJUULNKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-16(2)32(29,30)20-13-11-17(12-14-20)23(27)26-22-10-5-4-9-21(22)24(28)25-18-7-6-8-19(15-18)31-3/h4-16H,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide?
N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide has a molecular weight of 452.53 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide is sourced from PubChem (CID 55754649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).