N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

C19H18N4OS — CID 20597751

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cccc(CSc2ncn[nH]2)c1
InChIInChI=1S/C19H18N4OS/c24-18(22-17-8-7-14-4-2-5-15(14)10-17)16-6-1-3-13(9-16)11-25-19-20-12-21-23-19/h1,3,6-10,12H,2,4-5,11H2,(H,22,24)(H,20,21,23)
InChIKeyQDAHHERQCWETMC-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.84
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (PubChem CID 20597751) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
PubChem CID20597751
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cccc(CSc2ncn[nH]2)c1
InChIInChI=1S/C19H18N4OS/c24-18(22-17-8-7-14-4-2-5-15(14)10-17)16-6-1-3-13(9-16)11-25-19-20-12-21-23-19/h1,3,6-10,12H,2,4-5,11H2,(H,22,24)(H,20,21,23)
InChIKeyQDAHHERQCWETMC-UHFFFAOYSA-N
XLogP3.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 8001804
N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 20597602
N-(3-methyl-4-propan-2-ylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 20597704
N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide
CID 112767336
N-[3-(phenylcarbamoylamino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55515308
N-[4-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 31011314
N-(1H-indazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 71943302
N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide
CID 36542028
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38209872
3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide
CID 17220582
3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2635737
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 56521806

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (CID 20597751) is N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is O=C(Nc1ccc2c(c1)CCC2)c1cccc(CSc2ncn[nH]2)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The InChIKey is QDAHHERQCWETMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c24-18(22-17-8-7-14-4-2-5-15(14)10-17)16-6-1-3-13(9-16)11-25-19-20-12-21-23-19/h1,3,6-10,12H,2,4-5,11H2,(H,22,24)(H,20,21,23).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide has a molecular weight of 350.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 20597751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).