3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide

C22H17N5O2S — CID 29211076

IUPAC3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide
SMILESCN(Cc1ccco1)C(=O)c1cc(-c2cc3ccccc3s2)cc(-n2cnnn2)c1
InChIInChI=1S/C22H17N5O2S/c1-26(13-19-6-4-8-29-19)22(28)17-9-16(10-18(11-17)27-14-23-24-25-27)21-12-15-5-2-3-7-20(15)30-21/h2-12,14H,13H2,1H3
InChIKeyKGQFHAKAGIHTNC-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.41
Rot. Bonds5

About 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide

3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide (PubChem CID 29211076) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide
PubChem CID29211076
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC Name3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide
SMILESCN(Cc1ccco1)C(=O)c1cc(-c2cc3ccccc3s2)cc(-n2cnnn2)c1
InChIInChI=1S/C22H17N5O2S/c1-26(13-19-6-4-8-29-19)22(28)17-9-16(10-18(11-17)27-14-23-24-25-27)21-12-15-5-2-3-7-20(15)30-21/h2-12,14H,13H2,1H3
InChIKeyKGQFHAKAGIHTNC-UHFFFAOYSA-N
XLogP4.41
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide
CID 42540851
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 56911908
N-(furan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 31834240
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 39735328
N-(1,4-dioxan-2-ylmethyl)-N-methyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide
CID 45168283
N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-methoxyphenyl)-N-methyl-5-(tetrazol-1-yl)benzamide
CID 42248350
N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 25327818
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763376
N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42500060
N-(furan-2-ylmethyl)-1-hydroxy-N-methylnaphthalene-2-carboxamide
CID 43396704
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 43002952

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide (CID 29211076) is 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide is CN(Cc1ccco1)C(=O)c1cc(-c2cc3ccccc3s2)cc(-n2cnnn2)c1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide?
The InChIKey is KGQFHAKAGIHTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c1-26(13-19-6-4-8-29-19)22(28)17-9-16(10-18(11-17)27-14-23-24-25-27)21-12-15-5-2-3-7-20(15)30-21/h2-12,14H,13H2,1H3.
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide?
3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide has a molecular weight of 415.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 29211076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).