4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide

C17H16N6O3S — CID 9073713

IUPAC4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H16N6O3S/c1-18-16(26)11-2-4-12(5-3-11)19-15(25)10-27-17-20-21-22-23(17)13-6-8-14(24)9-7-13/h2-9,24H,10H2,1H3,(H,18,26)(H,19,25)
InChIKeyPWENMZNBBANTQO-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.46
Rot. Bonds6

About 4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide

4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide (PubChem CID 9073713) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is 4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
PubChem CID9073713
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC Name4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H16N6O3S/c1-18-16(26)11-2-4-12(5-3-11)19-15(25)10-27-17-20-21-22-23(17)13-6-8-14(24)9-7-13/h2-9,24H,10H2,1H3,(H,18,26)(H,19,25)
InChIKeyPWENMZNBBANTQO-UHFFFAOYSA-N
XLogP1.46
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 8793113
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 4814756
N-methyl-4-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 8686229
N-(3-acetylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2563249
4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 8691758
N-[4-(diethylsulfamoyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2109822
N-[4-(difluoromethylsulfonyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 24571051
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8793111
methyl 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate
CID 1323060
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide (CID 9073713) is 4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide?
The InChIKey is PWENMZNBBANTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c1-18-16(26)11-2-4-12(5-3-11)19-15(25)10-27-17-20-21-22-23(17)13-6-8-14(24)9-7-13/h2-9,24H,10H2,1H3,(H,18,26)(H,19,25).
What are the key properties of 4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide?
4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide has a molecular weight of 384.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 9073713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).