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

C23H18N4O3S — CID 45022028

IUPAC2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C23H18N4O3S/c1-30-17-13-11-15(12-14-17)20(28)24-19-10-6-5-9-18(19)21(29)25-23-27-26-22(31-23)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,28)(H,25,27,29)
InChIKeyRDMYUIOPPNLZGW-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.72
Rot. Bonds6

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

2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 45022028) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID45022028
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C23H18N4O3S/c1-30-17-13-11-15(12-14-17)20(28)24-19-10-6-5-9-18(19)21(29)25-23-27-26-22(31-23)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,28)(H,25,27,29)
InChIKeyRDMYUIOPPNLZGW-UHFFFAOYSA-N
XLogP4.72
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 45021560
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45013631
N-[5-[4-(4-fluorophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 139582491
2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871469
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide
CID 56548861
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55653409
N-[5-(2-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 163363704
2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid
CID 102378800
2-[(4-oxo-4-phenylbutanoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45009774
4-methoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1087665

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 45022028) is 2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is RDMYUIOPPNLZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c1-30-17-13-11-15(12-14-17)20(28)24-19-10-6-5-9-18(19)21(29)25-23-27-26-22(31-23)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,28)(H,25,27,29).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 430.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 45022028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).