2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide

C17H14Cl2FN5OS — CID 56568252

IUPAC2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H14Cl2FN5OS/c1-10-22-23-24-25(10)13-4-5-15(20)16(7-13)21-17(26)9-27-8-11-2-3-12(18)6-14(11)19/h2-7H,8-9H2,1H3,(H,21,26)
InChIKeySKVLKTJCAKTQKA-UHFFFAOYSA-N
MW426.30 g/mol
LogP4.29
Rot. Bonds6

About 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide

2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide (PubChem CID 56568252) has the molecular formula C17H14Cl2FN5OS and a molecular weight of 426.30 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide
PubChem CID56568252
Molecular FormulaC17H14Cl2FN5OS
Molecular Weight426.30 g/mol
Exact Mass425.03
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H14Cl2FN5OS/c1-10-22-23-24-25(10)13-4-5-15(20)16(7-13)21-17(26)9-27-8-11-2-3-12(18)6-14(11)19/h2-7H,8-9H2,1H3,(H,21,26)
InChIKeySKVLKTJCAKTQKA-UHFFFAOYSA-N
XLogP4.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-ethylsulfanyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-methylbutanamide
CID 95616798
4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-3-methylbenzoic acid
CID 17342031
2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 56568481
4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide
CID 56568346
1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 56532719
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 56571740
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 56568611
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 56568228
N-(cyclopropylcarbamoyl)-2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]acetamide
CID 154748238
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 56571773
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 134058084
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 1348349

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide (CID 56568252) is 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide is Cc1nnnn1-c1ccc(F)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is SKVLKTJCAKTQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN5OS/c1-10-22-23-24-25(10)13-4-5-15(20)16(7-13)21-17(26)9-27-8-11-2-3-12(18)6-14(11)19/h2-7H,8-9H2,1H3,(H,21,26).
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide?
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 426.30 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 56568252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).