2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C19H18N6O3S — CID 8793111

IUPAC2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H18N6O3S/c26-16-9-7-15(8-10-16)25-19(21-22-23-25)29-12-17(27)20-13-3-5-14(6-4-13)24-11-1-2-18(24)28/h3-10,26H,1-2,11-12H2,(H,20,27)
InChIKeyOVBLXZAZXZGOQO-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.23
Rot. Bonds6

About 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 8793111) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID8793111
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H18N6O3S/c26-16-9-7-15(8-10-16)25-19(21-22-23-25)29-12-17(27)20-13-3-5-14(6-4-13)24-11-1-2-18(24)28/h3-10,26H,1-2,11-12H2,(H,20,27)
InChIKeyOVBLXZAZXZGOQO-UHFFFAOYSA-N
XLogP2.23
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide 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-(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
4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 9073713
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42068373
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4265931
N-[4-(difluoromethylsulfonyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 24571051
N-[4-(diethylsulfamoyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2109822
N-(4-pyrrolidin-1-ylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 24500505
N-(3-acetylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2563249
2-(4-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8747158
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4835487

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 8793111) is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is OVBLXZAZXZGOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c26-16-9-7-15(8-10-16)25-19(21-22-23-25)29-12-17(27)20-13-3-5-14(6-4-13)24-11-1-2-18(24)28/h3-10,26H,1-2,11-12H2,(H,20,27).
What are the key properties of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 410.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 8793111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).