N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide

C22H18N4O2S — CID 11200464

IUPACN-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide
SMILESCOc1ccccc1Nc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)s1
InChIInChI=1S/C22H18N4O2S/c1-28-19-10-6-5-9-18(19)24-22-26-25-21(29-22)16-11-13-17(14-12-16)23-20(27)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,27)(H,24,26)
InChIKeyOIGHXPMKWGULBF-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.21
Rot. Bonds6

About N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide

N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide (PubChem CID 11200464) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide
PubChem CID11200464
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC NameN-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide
SMILESCOc1ccccc1Nc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)s1
InChIInChI=1S/C22H18N4O2S/c1-28-19-10-6-5-9-18(19)24-22-26-25-21(29-22)16-11-13-17(14-12-16)23-20(27)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,27)(H,24,26)
InChIKeyOIGHXPMKWGULBF-UHFFFAOYSA-N
XLogP5.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45012563
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764174
3-methyl-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45020577
2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 2611727
2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 45021560
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843
2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45022028
methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163865
(2S)-N-(4-acetylphenyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 2611346

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide?
The IUPAC name of N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide (CID 11200464) is N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide is COc1ccccc1Nc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)s1.
What is the InChIKey of N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide?
The InChIKey is OIGHXPMKWGULBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-28-19-10-6-5-9-18(19)24-22-26-25-21(29-22)16-11-13-17(14-12-16)23-20(27)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide?
N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide has a molecular weight of 402.48 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 11200464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).