(2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide

C20H22N6O2S — CID 8827394

IUPAC(2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H22N6O2S/c1-12-9-13(2)11-18(10-12)26-20(23-24-25-26)29-14(3)19(28)22-17-7-5-16(6-8-17)21-15(4)27/h5-11,14H,1-4H3,(H,21,27)(H,22,28)/t14-/m1/s1
InChIKeyDQFRUJWFPFXODL-CQSZACIVSA-N
MW410.50 g/mol
LogP3.36
Rot. Bonds6

About (2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide

(2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 8827394) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID8827394
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H22N6O2S/c1-12-9-13(2)11-18(10-12)26-20(23-24-25-26)29-14(3)19(28)22-17-7-5-16(6-8-17)21-15(4)27/h5-11,14H,1-4H3,(H,21,27)(H,22,28)/t14-/m1/s1
InChIKeyDQFRUJWFPFXODL-CQSZACIVSA-N
XLogP3.36
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464631
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7474000
(2R)-N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464589
(2S)-N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464587
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide
CID 46572602
(2R)-N-(4-cyanophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9407792
(2R)-N-(4-chlorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7661558
(2S)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 9002573
(2S)-N-(4-bromophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762355
N'-[(2S)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide
CID 9066432
N-(4-acetylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42963660

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 8827394) is (2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2cc(C)cc(C)c2)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is DQFRUJWFPFXODL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-12-9-13(2)11-18(10-12)26-20(23-24-25-26)29-14(3)19(28)22-17-7-5-16(6-8-17)21-15(4)27/h5-11,14H,1-4H3,(H,21,27)(H,22,28)/t14-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
(2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 410.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 8827394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).