1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone

C19H19ClN4OS — CID 7856915

IUPAC1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
SMILESCCCCc1ccc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN4OS/c1-2-3-4-14-5-7-15(8-6-14)18(25)13-26-19-21-22-23-24(19)17-11-9-16(20)10-12-17/h5-12H,2-4,13H2,1H3
InChIKeyICIDCWRGMVRYLZ-UHFFFAOYSA-N
MW386.91 g/mol
LogP4.63
Rot. Bonds8

About 1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone

1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 7856915) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
PubChem CID7856915
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
SMILESCCCCc1ccc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN4OS/c1-2-3-4-14-5-7-15(8-6-14)18(25)13-26-19-21-22-23-24(19)17-11-9-16(20)10-12-17/h5-12H,2-4,13H2,1H3
InChIKeyICIDCWRGMVRYLZ-UHFFFAOYSA-N
XLogP4.63
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615952
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(4-propylphenyl)ethanone
CID 9407655
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9360103
N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide
CID 7560622
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-1-(3-nitrophenyl)ethanone
CID 112802457
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 16535892
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,4-dimethoxyphenyl)ethanone
CID 2610082
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 112780362
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-ethylphenyl)ethanone
CID 980909
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 9360238
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 7455481
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9407888

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone (CID 7856915) is 1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone is CCCCc1ccc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is ICIDCWRGMVRYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-2-3-4-14-5-7-15(8-6-14)18(25)13-26-19-21-22-23-24(19)17-11-9-16(20)10-12-17/h5-12H,2-4,13H2,1H3.
What are the key properties of 1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone?
1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 386.91 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 7856915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).