2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide

C17H16ClN5OS — CID 26123101

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnnc1-c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClN5OS/c1-23-17(20-21-22-23)13-5-3-7-15(9-13)19-16(24)11-25-10-12-4-2-6-14(18)8-12/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyLENJGYBGSDOSAL-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.40
Rot. Bonds6

About 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide (PubChem CID 26123101) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
PubChem CID26123101
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnnc1-c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClN5OS/c1-23-17(20-21-22-23)13-5-3-7-15(9-13)19-16(24)11-25-10-12-4-2-6-14(18)8-12/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyLENJGYBGSDOSAL-UHFFFAOYSA-N
XLogP3.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122962
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 27700031
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60629859
2-(4-chlorophenyl)sulfonyl-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41360617
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)acetamide
CID 18269298
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
CID 30414133
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide (CID 26123101) is 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide is Cn1nnnc1-c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The InChIKey is LENJGYBGSDOSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5OS/c1-23-17(20-21-22-23)13-5-3-7-15(9-13)19-16(24)11-25-10-12-4-2-6-14(18)8-12/h2-9H,10-11H2,1H3,(H,19,24).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide has a molecular weight of 373.87 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 26123101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).