3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide

C15H18Cl2N4OS — CID 154687798

IUPAC3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide
SMILESCSCCn1cc(C(C)(C)NC(=O)c2cc(Cl)cc(Cl)c2)nn1
InChIInChI=1S/C15H18Cl2N4OS/c1-15(2,13-9-21(20-19-13)4-5-23-3)18-14(22)10-6-11(16)8-12(17)7-10/h6-9H,4-5H2,1-3H3,(H,18,22)
InChIKeyQVSSBRJVLAQJIN-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.61
Rot. Bonds6

About 3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide

3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide (PubChem CID 154687798) has the molecular formula C15H18Cl2N4OS and a molecular weight of 373.31 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide
PubChem CID154687798
Molecular FormulaC15H18Cl2N4OS
Molecular Weight373.31 g/mol
Exact Mass372.06
IUPAC Name3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide
SMILESCSCCn1cc(C(C)(C)NC(=O)c2cc(Cl)cc(Cl)c2)nn1
InChIInChI=1S/C15H18Cl2N4OS/c1-15(2,13-9-21(20-19-13)4-5-23-3)18-14(22)10-6-11(16)8-12(17)7-10/h6-9H,4-5H2,1-3H3,(H,18,22)
InChIKeyQVSSBRJVLAQJIN-UHFFFAOYSA-N
XLogP3.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide
CID 154687791
S-[2-[4-[2-[(3,5-dichlorobenzoyl)amino]propan-2-yl]pyrazol-1-yl]ethyl] ethanethioate
CID 154687749
2-[4-[2-[(3,4-dichlorobenzoyl)amino]propan-2-yl]triazol-1-yl]ethyl methanesulfonate
CID 154687728
3,4-dichloro-N-[2-[1-(naphthalen-2-ylmethyl)triazol-4-yl]propan-2-yl]benzamide
CID 167374122
N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide
CID 146153347
3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide
CID 54220848
N-[1,1-dibromo-2-[1-(2-hydroxyethyl)triazol-4-yl]propan-2-yl]benzamide
CID 162373977
3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide
CID 175166740
1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 63580485
N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide
CID 146153302
1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]triazole-4-carbohydrazide
CID 79528117
3,5-dichlorobenzohydrazide
CID 2735966

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide (CID 154687798) is 3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide is CSCCn1cc(C(C)(C)NC(=O)c2cc(Cl)cc(Cl)c2)nn1.
What is the InChIKey of 3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide?
The InChIKey is QVSSBRJVLAQJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4OS/c1-15(2,13-9-21(20-19-13)4-5-23-3)18-14(22)10-6-11(16)8-12(17)7-10/h6-9H,4-5H2,1-3H3,(H,18,22).
What are the key properties of 3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide?
3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide has a molecular weight of 373.31 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide is sourced from PubChem (CID 154687798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).