N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide

C24H23N5OS — CID 134131521

IUPACN-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(SC)cc3)n2)cc1
InChIInChI=1S/C24H23N5OS/c1-3-6-17-9-11-18(12-10-17)24(30)25-22-8-5-4-7-21(22)23-26-28-29(27-23)19-13-15-20(31-2)16-14-19/h4-5,7-16H,3,6H2,1-2H3,(H,25,30)
InChIKeyRIYJGRWEXRVZGL-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.26
Rot. Bonds7

About N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide

N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide (PubChem CID 134131521) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide
PubChem CID134131521
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC NameN-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(SC)cc3)n2)cc1
InChIInChI=1S/C24H23N5OS/c1-3-6-17-9-11-18(12-10-17)24(30)25-22-8-5-4-7-21(22)23-26-28-29(27-23)19-13-15-20(31-2)16-14-19/h4-5,7-16H,3,6H2,1-2H3,(H,25,30)
InChIKeyRIYJGRWEXRVZGL-UHFFFAOYSA-N
XLogP5.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 118737171
N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134130015
N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-2-nitrobenzamide
CID 134130126
N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide
CID 134131281
N-[2-(2-phenyltetrazol-5-yl)phenyl]thiophene-2-carboxamide
CID 145974617
(2R)-2-phenyl-2-phenylsulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 25181264
N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 134130371
N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 118737169
4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide
CID 118737170
N-[2-[2-(4-propan-2-ylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 134129912
N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-nitrobenzamide
CID 134130324
N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 134130603

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide?
The IUPAC name of N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide (CID 134131521) is N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide.
What is the SMILES notation for N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide?
The canonical SMILES for N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide is CCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(SC)cc3)n2)cc1.
What is the InChIKey of N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide?
The InChIKey is RIYJGRWEXRVZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-3-6-17-9-11-18(12-10-17)24(30)25-22-8-5-4-7-21(22)23-26-28-29(27-23)19-13-15-20(31-2)16-14-19/h4-5,7-16H,3,6H2,1-2H3,(H,25,30).
What are the key properties of N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide?
N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide has a molecular weight of 429.55 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide is sourced from PubChem (CID 134131521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).