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

C16H16ClNO2S — CID 91631282

IUPAC5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide
SMILESCOC1(CNC(=O)c2ccc(Cl)s2)Cc2ccccc2C1
InChIInChI=1S/C16H16ClNO2S/c1-20-16(8-11-4-2-3-5-12(11)9-16)10-18-15(19)13-6-7-14(17)21-13/h2-7H,8-10H2,1H3,(H,18,19)
InChIKeyFKSTWOOXEUMWCQ-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.32
Rot. Bonds4

About 5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide

5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 91631282) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide
PubChem CID91631282
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide
SMILESCOC1(CNC(=O)c2ccc(Cl)s2)Cc2ccccc2C1
InChIInChI=1S/C16H16ClNO2S/c1-20-16(8-11-4-2-3-5-12(11)9-16)10-18-15(19)13-6-7-14(17)21-13/h2-7H,8-10H2,1H3,(H,18,19)
InChIKeyFKSTWOOXEUMWCQ-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide (CID 91631282) is 5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide is COC1(CNC(=O)c2ccc(Cl)s2)Cc2ccccc2C1.
What is the InChIKey of 5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is FKSTWOOXEUMWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-20-16(8-11-4-2-3-5-12(11)9-16)10-18-15(19)13-6-7-14(17)21-13/h2-7H,8-10H2,1H3,(H,18,19).
What are the key properties of 5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide?
5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 91631282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).