N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide

C16H17NO2S — CID 91631267

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide
SMILESCOC1(CNC(=O)c2ccsc2)Cc2ccccc2C1
InChIInChI=1S/C16H17NO2S/c1-19-16(8-12-4-2-3-5-13(12)9-16)11-17-15(18)14-6-7-20-10-14/h2-7,10H,8-9,11H2,1H3,(H,17,18)
InChIKeyPKVXMEYRHVSSBM-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.66
Rot. Bonds4

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide (PubChem CID 91631267) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide
PubChem CID91631267
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide
SMILESCOC1(CNC(=O)c2ccsc2)Cc2ccccc2C1
InChIInChI=1S/C16H17NO2S/c1-19-16(8-12-4-2-3-5-13(12)9-16)11-17-15(18)14-6-7-20-10-14/h2-7,10H,8-9,11H2,1H3,(H,17,18)
InChIKeyPKVXMEYRHVSSBM-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide (CID 91631267) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide is COC1(CNC(=O)c2ccsc2)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide?
The InChIKey is PKVXMEYRHVSSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-19-16(8-12-4-2-3-5-13(12)9-16)11-17-15(18)14-6-7-20-10-14/h2-7,10H,8-9,11H2,1H3,(H,17,18).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide has a molecular weight of 287.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 91631267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).