N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide

C15H14N6O2S — CID 18131505

IUPACN-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)Cn2nnc(-c3cccs3)n2)c1
InChIInChI=1S/C15H14N6O2S/c1-16-15(23)10-4-2-5-11(8-10)17-13(22)9-21-19-14(18-20-21)12-6-3-7-24-12/h2-8H,9H2,1H3,(H,16,23)(H,17,22)
InChIKeyBTLBUOOCTXDCND-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.40
Rot. Bonds5

About N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide

N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide (PubChem CID 18131505) has the molecular formula C15H14N6O2S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide
PubChem CID18131505
Molecular FormulaC15H14N6O2S
Molecular Weight342.38 g/mol
Exact Mass342.09
IUPAC NameN-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)Cn2nnc(-c3cccs3)n2)c1
InChIInChI=1S/C15H14N6O2S/c1-16-15(23)10-4-2-5-11(8-10)17-13(22)9-21-19-14(18-20-21)12-6-3-7-24-12/h2-8H,9H2,1H3,(H,16,23)(H,17,22)
InChIKeyBTLBUOOCTXDCND-UHFFFAOYSA-N
XLogP1.40
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-propan-2-ylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 78806265
N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide
CID 38136167
N-(2-ethylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 646110
1-[[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449963
N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 8582324
N-(1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 61393718
N-(1-hydroxybutan-2-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 43393225
methyl 3-[[2-(5-pyridin-4-yltetrazol-2-yl)acetyl]amino]benzoate
CID 859178
2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422
3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide
CID 26625766
N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
CID 38924123
3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid
CID 43354761

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide (CID 18131505) is N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)Cn2nnc(-c3cccs3)n2)c1.
What is the InChIKey of N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide?
The InChIKey is BTLBUOOCTXDCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S/c1-16-15(23)10-4-2-5-11(8-10)17-13(22)9-21-19-14(18-20-21)12-6-3-7-24-12/h2-8H,9H2,1H3,(H,16,23)(H,17,22).
What are the key properties of N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide?
N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide has a molecular weight of 342.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 18131505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).