2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide

C20H22N6O2S — CID 46572602

IUPAC2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)Sc2nnnn2-c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H22N6O2S/c1-4-15-8-10-16(11-9-15)22-19(28)13(2)29-20-23-24-25-26(20)18-7-5-6-17(12-18)21-14(3)27/h5-13H,4H2,1-3H3,(H,21,27)(H,22,28)
InChIKeyZBNJEIRXKHNXJD-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.30
Rot. Bonds7

About 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide

2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide (PubChem CID 46572602) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide
PubChem CID46572602
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)Sc2nnnn2-c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H22N6O2S/c1-4-15-8-10-16(11-9-15)22-19(28)13(2)29-20-23-24-25-26(20)18-7-5-6-17(12-18)21-14(3)27/h5-13H,4H2,1-3H3,(H,21,27)(H,22,28)
InChIKeyZBNJEIRXKHNXJD-UHFFFAOYSA-N
XLogP3.30
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46572473
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-tert-butylpropanamide
CID 46572655
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 46572745
(2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8827394
N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 46619617
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(tert-butylcarbamoyl)propanamide
CID 46572532
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 43055828
N-(3,4-difluorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 24500453
N-(4-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18776191
(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7802002
(2R)-N-(4-acetamidophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464631

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide?
The IUPAC name of 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide (CID 46572602) is 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)C(C)Sc2nnnn2-c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide?
The InChIKey is ZBNJEIRXKHNXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-4-15-8-10-16(11-9-15)22-19(28)13(2)29-20-23-24-25-26(20)18-7-5-6-17(12-18)21-14(3)27/h5-13H,4H2,1-3H3,(H,21,27)(H,22,28).
What are the key properties of 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide?
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide has a molecular weight of 410.50 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 46572602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).