N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide

C17H17NOS — CID 9402797

IUPACN-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCSc1cccc(NC(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H17NOS/c1-20-16-7-3-6-15(11-16)18-17(19)14-9-8-12-4-2-5-13(12)10-14/h3,6-11H,2,4-5H2,1H3,(H,18,19)
InChIKeyIAMJNAAXQUBWNN-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.15
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 9402797) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID9402797
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC NameN-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCSc1cccc(NC(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H17NOS/c1-20-16-7-3-6-15(11-16)18-17(19)14-9-8-12-4-2-5-13(12)10-14/h3,6-11H,2,4-5H2,1H3,(H,18,19)
InChIKeyIAMJNAAXQUBWNN-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 43823245
N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
CID 39709233
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 9228157
3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide
CID 104627461
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
4-cyano-N-(3-methylsulfanylphenyl)benzamide
CID 2665655
N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 8761868
2-chloro-N-(3-methylsulfanylphenyl)quinoline-6-carboxamide
CID 55731147

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 9402797) is N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is CSc1cccc(NC(=O)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is IAMJNAAXQUBWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-20-16-7-3-6-15(11-16)18-17(19)14-9-8-12-4-2-5-13(12)10-14/h3,6-11H,2,4-5H2,1H3,(H,18,19).
What are the key properties of N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 9402797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).