4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide

C18H15F2N5O4S — CID 2618661

IUPAC4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C18H15F2N5O4S/c1-28-13-8-4-12(5-9-13)25-18(22-23-24-25)30-10-15(26)21-16(27)11-2-6-14(7-3-11)29-17(19)20/h2-9,17H,10H2,1H3,(H,21,26,27)
InChIKeyBVHOYZVLELLKTJ-UHFFFAOYSA-N
MW435.41 g/mol
LogP2.32
Rot. Bonds8

About 4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide

4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide (PubChem CID 2618661) has the molecular formula C18H15F2N5O4S and a molecular weight of 435.41 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide
PubChem CID2618661
Molecular FormulaC18H15F2N5O4S
Molecular Weight435.41 g/mol
Exact Mass435.08
IUPAC Name4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C18H15F2N5O4S/c1-28-13-8-4-12(5-9-13)25-18(22-23-24-25)30-10-15(26)21-16(27)11-2-6-14(7-3-11)29-17(19)20/h2-9,17H,10H2,1H3,(H,21,26,27)
InChIKeyBVHOYZVLELLKTJ-UHFFFAOYSA-N
XLogP2.32
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]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

1-(3,4-Dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 2617712
3-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9502972
2-{[1-(4-ethoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}-1-phenylethanone
CID 659783
N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 1102237
4-{5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-benzamide
CID 2254911
N-[3-(1H-tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 7693248
4-{5-[(2-Methoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-benzoic acid methyl ester
CID 648565
1-(3-Methoxy-phenyl)-2-[1-(4-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 651816
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-methoxybenzamide
CID 930814
N-(4-Acetyl-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075016
4-Methoxy-benzoic acid N'-{2-[1-(3,5-dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetyl}-hydrazide
CID 3189452
N-[4-(trifluoromethoxy)phenyl]-2-{[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
CID 1256852

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide (CID 2618661) is 4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide is COc1ccc(-n2nnnc2SCC(=O)NC(=O)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide?
The InChIKey is BVHOYZVLELLKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O4S/c1-28-13-8-4-12(5-9-13)25-18(22-23-24-25)30-10-15(26)21-16(27)11-2-6-14(7-3-11)29-17(19)20/h2-9,17H,10H2,1H3,(H,21,26,27).
What are the key properties of 4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide?
4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide has a molecular weight of 435.41 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide is sourced from PubChem (CID 2618661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).