N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide

C20H20N4O4S — CID 43814722

IUPACN-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-27-16-7-3-14(4-8-16)11-21-19(25)12-24(20(26)18-13-29-23-22-18)15-5-9-17(28-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,21,25)
InChIKeyWMUDZRCEECUDEP-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.52
Rot. Bonds8

About N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide

N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide (PubChem CID 43814722) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
PubChem CID43814722
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-27-16-7-3-14(4-8-16)11-21-19(25)12-24(20(26)18-13-29-23-22-18)15-5-9-17(28-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,21,25)
InChIKeyWMUDZRCEECUDEP-UHFFFAOYSA-N
XLogP2.52
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 43814721
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 43815572
N-(4-methoxyphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 24792271
N-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1445695
2-(N-acetyl-4-ethylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113169241
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]thiadiazole-4-carboxamide
CID 24792388
1-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylisoquinoline-7-carboxamide
CID 18468744
2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 71715351
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119912482
N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 3221963
N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide
CID 52689431

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide (CID 43814722) is N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide is COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The InChIKey is WMUDZRCEECUDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-27-16-7-3-14(4-8-16)11-21-19(25)12-24(20(26)18-13-29-23-22-18)15-5-9-17(28-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 43814722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).