N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide

C20H21N5O2S — CID 91565903

IUPACN-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide
SMILESCCC(=O)NC(=O)C(Sc1nnnn1-c1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C20H21N5O2S/c1-4-17(26)21-19(27)18(15-8-6-5-7-9-15)28-20-22-23-24-25(20)16-12-13(2)10-11-14(16)3/h5-12,18H,4H2,1-3H3,(H,21,26,27)
InChIKeyCURBXWAZTYMXTK-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.17
Rot. Bonds6

About N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide

N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide (PubChem CID 91565903) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide.

Molecular Properties

Compound NameN-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide
PubChem CID91565903
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide
SMILESCCC(=O)NC(=O)C(Sc1nnnn1-c1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C20H21N5O2S/c1-4-17(26)21-19(27)18(15-8-6-5-7-9-15)28-20-22-23-24-25(20)16-12-13(2)10-11-14(16)3/h5-12,18H,4H2,1-3H3,(H,21,26,27)
InChIKeyCURBXWAZTYMXTK-UHFFFAOYSA-N
XLogP3.17
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
CID 7878125
(2R)-N-cyclopropyl-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 9036976
(2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 41319947
(2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 9036780
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 7877912
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide
CID 17431271
N-(2,5-dimethylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 46648718
N-(4-fluorophenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 4802905
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 16536965
(2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 2505071
(2S)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 2505068
N-[4-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide
CID 7877856

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide?
The IUPAC name of N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide (CID 91565903) is N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide.
What is the SMILES notation for N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide?
The canonical SMILES for N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide is CCC(=O)NC(=O)C(Sc1nnnn1-c1cc(C)ccc1C)c1ccccc1.
What is the InChIKey of N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide?
The InChIKey is CURBXWAZTYMXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-4-17(26)21-19(27)18(15-8-6-5-7-9-15)28-20-22-23-24-25(20)16-12-13(2)10-11-14(16)3/h5-12,18H,4H2,1-3H3,(H,21,26,27).
What are the key properties of N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide?
N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide has a molecular weight of 395.49 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide is sourced from PubChem (CID 91565903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).