1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione

C19H17N5O2S — CID 2936558

IUPAC1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)CC(Sc3nnnn3-c3ccccc3)C2=O)c1
InChIInChI=1S/C19H17N5O2S/c1-12-8-13(2)10-15(9-12)23-17(25)11-16(18(23)26)27-19-20-21-22-24(19)14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyZRBULFJFAZMPTP-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.70
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione

1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione (PubChem CID 2936558) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
PubChem CID2936558
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)CC(Sc3nnnn3-c3ccccc3)C2=O)c1
InChIInChI=1S/C19H17N5O2S/c1-12-8-13(2)10-15(9-12)23-17(25)11-16(18(23)26)27-19-20-21-22-24(19)14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyZRBULFJFAZMPTP-UHFFFAOYSA-N
XLogP2.70
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-Phenyl-7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2415764
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
1-[4-[(1-Cyclohexyltetrazol-5-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione
CID 1329086
2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 2424415
1-(4-Methylphenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
CID 118734156
1-(3-Chloro-2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
CID 4018822
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetamide
CID 1274381
1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone
CID 2988736
N-(2-ethyl-6-methylphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 1130028
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 3748522
N-(3,5-ditert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2212601
N-(4-tert-butylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2212912

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione (CID 2936558) is 1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is Cc1cc(C)cc(N2C(=O)CC(Sc3nnnn3-c3ccccc3)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is ZRBULFJFAZMPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-12-8-13(2)10-15(9-12)23-17(25)11-16(18(23)26)27-19-20-21-22-24(19)14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 379.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 2936558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).