2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide

C23H19ClN6O2S — CID 46606064

IUPAC2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H19ClN6O2S/c1-15-5-4-6-17(13-15)25-22(32)19-7-2-3-8-20(19)26-21(31)14-33-23-27-28-29-30(23)18-11-9-16(24)10-12-18/h2-13H,14H2,1H3,(H,25,32)(H,26,31)
InChIKeyANGQSEWBRRPGND-UHFFFAOYSA-N
MW478.97 g/mol
LogP4.61
Rot. Bonds7

About 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide

2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 46606064) has the molecular formula C23H19ClN6O2S and a molecular weight of 478.97 g/mol. Its IUPAC name is 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID46606064
Molecular FormulaC23H19ClN6O2S
Molecular Weight478.97 g/mol
Exact Mass478.10
IUPAC Name2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H19ClN6O2S/c1-15-5-4-6-17(13-15)25-22(32)19-7-2-3-8-20(19)26-21(31)14-33-23-27-28-29-30(23)18-11-9-16(24)10-12-18/h2-13H,14H2,1H3,(H,25,32)(H,26,31)
InChIKeyANGQSEWBRRPGND-UHFFFAOYSA-N
XLogP4.61
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.97
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1328619
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 1455252
2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide
CID 16535735
N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16648706
N-(4-chlorophenyl)-2-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 55399673
N-(2-acetylphenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7561491
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
N-(2-fluoro-5-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2950071
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 1348349
N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7474172
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 27159868
N-(5-chloro-2-hydroxyphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3663323

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide (CID 46606064) is 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is ANGQSEWBRRPGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O2S/c1-15-5-4-6-17(13-15)25-22(32)19-7-2-3-8-20(19)26-21(31)14-33-23-27-28-29-30(23)18-11-9-16(24)10-12-18/h2-13H,14H2,1H3,(H,25,32)(H,26,31).
What are the key properties of 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide?
2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 478.97 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 46606064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).