2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

C24H20N4O4S — CID 45021560

IUPAC2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C24H20N4O4S/c1-31-17-11-7-15(8-12-17)21(29)25-20-6-4-3-5-19(20)22(30)26-24-28-27-23(33-24)16-9-13-18(32-2)14-10-16/h3-14H,1-2H3,(H,25,29)(H,26,28,30)
InChIKeyFPWJSNFACDCUOK-UHFFFAOYSA-N
MW460.52 g/mol
LogP4.73
Rot. Bonds7

About 2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 45021560) has the molecular formula C24H20N4O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID45021560
Molecular FormulaC24H20N4O4S
Molecular Weight460.52 g/mol
Exact Mass460.12
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C24H20N4O4S/c1-31-17-11-7-15(8-12-17)21(29)25-20-6-4-3-5-19(20)22(30)26-24-28-27-23(33-24)16-9-13-18(32-2)14-10-16/h3-14H,1-2H3,(H,25,29)(H,26,28,30)
InChIKeyFPWJSNFACDCUOK-UHFFFAOYSA-N
XLogP4.73
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45022028
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
N-[5-[4-(4-fluorophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 139582491
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55653409
2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871469
N-[5-(2-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 163363704
5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45013631
N-[5-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 73254179
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide
CID 17311565
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 45018806

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 45021560) is 2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is FPWJSNFACDCUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4S/c1-31-17-11-7-15(8-12-17)21(29)25-20-6-4-3-5-19(20)22(30)26-24-28-27-23(33-24)16-9-13-18(32-2)14-10-16/h3-14H,1-2H3,(H,25,29)(H,26,28,30).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 460.52 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 45021560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).