N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide

C23H20N4O2S — CID 135347326

IUPACN-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(-c2ccccc2Nc2ccc(-c3nnc(NC(C)=O)s3)cc2)cc1
InChIInChI=1S/C23H20N4O2S/c1-15(28)24-23-27-26-22(30-23)17-7-11-18(12-8-17)25-21-6-4-3-5-20(21)16-9-13-19(29-2)14-10-16/h3-14,25H,1-2H3,(H,24,27,28)
InChIKeyJCEXYCLLSYRJDE-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.58
Rot. Bonds6

About N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 135347326) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID135347326
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(-c2ccccc2Nc2ccc(-c3nnc(NC(C)=O)s3)cc2)cc1
InChIInChI=1S/C23H20N4O2S/c1-15(28)24-23-27-26-22(30-23)17-7-11-18(12-8-17)25-21-6-4-3-5-20(21)16-9-13-19(29-2)14-10-16/h3-14,25H,1-2H3,(H,24,27,28)
InChIKeyJCEXYCLLSYRJDE-UHFFFAOYSA-N
XLogP5.58
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.58
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
N-[5-[4-[[3-(4-fluorophenyl)-2-pyridinyl]amino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 135347435
2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653
1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075797
2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45022028
2-[2-[2-(4-methoxyanilino)phenyl]phenyl]-N-(4-methoxyphenyl)aniline
CID 90151027
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
(2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100761285
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 135347326) is N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide is COc1ccc(-c2ccccc2Nc2ccc(-c3nnc(NC(C)=O)s3)cc2)cc1.
What is the InChIKey of N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is JCEXYCLLSYRJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-15(28)24-23-27-26-22(30-23)17-7-11-18(12-8-17)25-21-6-4-3-5-20(21)16-9-13-19(29-2)14-10-16/h3-14,25H,1-2H3,(H,24,27,28).
What are the key properties of N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 416.51 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 135347326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).