N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

C26H24N4O4S — CID 46332692

IUPACN-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NC(=O)c3nnc(COc4cccc(C)c4)s3)cc2)cc1
InChIInChI=1S/C26H24N4O4S/c1-17-4-3-5-22(14-17)34-16-23-29-30-26(35-23)25(32)28-20-10-8-19(9-11-20)24(31)27-15-18-6-12-21(33-2)13-7-18/h3-14H,15-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeySYLHMTHJOZGOSU-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.62
Rot. Bonds9

About N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46332692) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46332692
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC NameN-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NC(=O)c3nnc(COc4cccc(C)c4)s3)cc2)cc1
InChIInChI=1S/C26H24N4O4S/c1-17-4-3-5-22(14-17)34-16-23-29-30-26(35-23)25(32)28-20-10-8-19(9-11-20)24(31)27-15-18-6-12-21(33-2)13-7-18/h3-14H,15-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeySYLHMTHJOZGOSU-UHFFFAOYSA-N
XLogP4.62
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(phenoxymethyl)-N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332642
N-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
CID 46332586
N-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332708
4-methoxy-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 10570178
[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 3-methylbenzoate
CID 55561360
5-[(4-fluorophenoxy)methyl]-N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332434
N-[4-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 46327617
5-[(4-fluorophenoxy)methyl]-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332856
N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 92872093
5-[(3,4-dimethoxyphenoxy)methyl]-N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332748
5-N-[(4-butoxyphenyl)methyl]-2-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353697
N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332472

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 46332692) is N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide is COc1ccc(CNC(=O)c2ccc(NC(=O)c3nnc(COc4cccc(C)c4)s3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SYLHMTHJOZGOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-17-4-3-5-22(14-17)34-16-23-29-30-26(35-23)25(32)28-20-10-8-19(9-11-20)24(31)27-15-18-6-12-21(33-2)13-7-18/h3-14H,15-16H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide?
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 488.57 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46332692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).