2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

C16H14FN5OS — CID 18081449

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CSCc1ccc(F)cc1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H14FN5OS/c17-13-3-1-12(2-4-13)9-24-10-16(23)19-14-5-7-15(8-6-14)22-11-18-20-21-22/h1-8,11H,9-10H2,(H,19,23)
InChIKeyPVBBINYMISIMCU-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.67
Rot. Bonds6

About 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 18081449) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID18081449
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CSCc1ccc(F)cc1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H14FN5OS/c17-13-3-1-12(2-4-13)9-24-10-16(23)19-14-5-7-15(8-6-14)22-11-18-20-21-22/h1-8,11H,9-10H2,(H,19,23)
InChIKeyPVBBINYMISIMCU-UHFFFAOYSA-N
XLogP2.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 17412222
N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 882447
1-(4-fluorophenyl)tetrazole
CID 825628
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 39084029
N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide
CID 25344863
4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide
CID 39083980
5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
CID 114014593
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 16549241
2-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 39080492
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 18081449) is 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(CSCc1ccc(F)cc1)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is PVBBINYMISIMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c17-13-3-1-12(2-4-13)9-24-10-16(23)19-14-5-7-15(8-6-14)22-11-18-20-21-22/h1-8,11H,9-10H2,(H,19,23).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 18081449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).