N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide

C20H15ClN4O2S — CID 126479054

IUPACN-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(Cn2nnc3ccsc3c2=O)cc1
InChIInChI=1S/C20H15ClN4O2S/c21-16-3-1-2-14(10-16)11-22-19(26)15-6-4-13(5-7-15)12-25-20(27)18-17(23-24-25)8-9-28-18/h1-10H,11-12H2,(H,22,26)
InChIKeyGZCYAKBQHQPGSW-UHFFFAOYSA-N
MW410.89 g/mol
LogP3.48
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide

N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide (PubChem CID 126479054) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide
PubChem CID126479054
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC NameN-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(Cn2nnc3ccsc3c2=O)cc1
InChIInChI=1S/C20H15ClN4O2S/c21-16-3-1-2-14(10-16)11-22-19(26)15-6-4-13(5-7-15)12-25-20(27)18-17(23-24-25)8-9-28-18/h1-10H,11-12H2,(H,22,26)
InChIKeyGZCYAKBQHQPGSW-UHFFFAOYSA-N
XLogP3.48
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide
CID 22588506
4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 126479058
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088195
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
N-[(4-fluorophenyl)methyl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
CID 23770253
N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324645
1-benzyl-N-[(3-chlorophenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
CID 50819135
4-[[[3-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)benzotriazole-4-carbonyl]amino]methyl]benzoic acid
CID 176771640
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085114
3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 27065071

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide (CID 126479054) is N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide is O=C(NCc1cccc(Cl)c1)c1ccc(Cn2nnc3ccsc3c2=O)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide?
The InChIKey is GZCYAKBQHQPGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c21-16-3-1-2-14(10-16)11-22-19(26)15-6-4-13(5-7-15)12-25-20(27)18-17(23-24-25)8-9-28-18/h1-10H,11-12H2,(H,22,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide?
N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide has a molecular weight of 410.89 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide is sourced from PubChem (CID 126479054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).