N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide

C17H15ClN6O2S — CID 1405245

IUPACN-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN6O2S/c1-11(25)19-13-4-6-14(7-5-13)20-16(26)10-27-17-21-22-23-24(17)15-8-2-12(18)3-9-15/h2-9H,10H2,1H3,(H,19,25)(H,20,26)
InChIKeyYEGYIVHRVBQEDF-UHFFFAOYSA-N
MW402.87 g/mol
LogP3.00
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide

N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1405245) has the molecular formula C17H15ClN6O2S and a molecular weight of 402.87 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1405245
Molecular FormulaC17H15ClN6O2S
Molecular Weight402.87 g/mol
Exact Mass402.07
IUPAC NameN-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN6O2S/c1-11(25)19-13-4-6-14(7-5-13)20-16(26)10-27-17-21-22-23-24(17)15-8-2-12(18)3-9-15/h2-9H,10H2,1H3,(H,19,25)(H,20,26)
InChIKeyYEGYIVHRVBQEDF-UHFFFAOYSA-N
XLogP3.00
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.87
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4265931
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1455233
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1455250
N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7455421
N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4575267
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-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 32787695
N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide
CID 7560622
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 3971930

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 1405245) is N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is YEGYIVHRVBQEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O2S/c1-11(25)19-13-4-6-14(7-5-13)20-16(26)10-27-17-21-22-23-24(17)15-8-2-12(18)3-9-15/h2-9H,10H2,1H3,(H,19,25)(H,20,26).
What are the key properties of N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 402.87 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1405245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).