2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

C17H14Cl2N4OS — CID 55795750

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H14Cl2N4OS/c18-13-3-6-15(19)16(7-13)25-9-17(24)21-8-12-1-4-14(5-2-12)23-11-20-10-22-23/h1-7,10-11H,8-9H2,(H,21,24)
InChIKeyKFUCAFHDDSPMKN-UHFFFAOYSA-N
MW393.30 g/mol
LogP3.98
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 55795750) has the molecular formula C17H14Cl2N4OS and a molecular weight of 393.30 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
PubChem CID55795750
Molecular FormulaC17H14Cl2N4OS
Molecular Weight393.30 g/mol
Exact Mass392.03
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H14Cl2N4OS/c18-13-3-6-15(19)16(7-13)25-9-17(24)21-8-12-1-4-14(5-2-12)23-11-20-10-22-23/h1-7,10-11H,8-9H2,(H,21,24)
InChIKeyKFUCAFHDDSPMKN-UHFFFAOYSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 167764922
3-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295872
3-(4-chlorophenyl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 55795719
3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 167814570
1-[(2,4-dichlorophenyl)methyl]-2-methyl-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111198016
7-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]heptanamide
CID 119866354
2-(2-amino-4-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43250933
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55732021
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 55795529
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2085866
2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295878

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 55795750) is 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is O=C(CSc1cc(Cl)ccc1Cl)NCc1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is KFUCAFHDDSPMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4OS/c18-13-3-6-15(19)16(7-13)25-9-17(24)21-8-12-1-4-14(5-2-12)23-11-20-10-22-23/h1-7,10-11H,8-9H2,(H,21,24).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 393.30 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 55795750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).