N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C15H15ClN2OS — CID 76894872

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H15ClN2OS/c1-18(9-11-6-7-14(16)20-11)15(19)13-8-10-4-2-3-5-12(10)17-13/h2-7,13,17H,8-9H2,1H3
InChIKeyFTVAPUKBXPMWSM-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.40
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76894872) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76894872
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H15ClN2OS/c1-18(9-11-6-7-14(16)20-11)15(19)13-8-10-4-2-3-5-12(10)17-13/h2-7,13,17H,8-9H2,1H3
InChIKeyFTVAPUKBXPMWSM-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 76894872) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CN(Cc1ccc(Cl)s1)C(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is FTVAPUKBXPMWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-18(9-11-6-7-14(16)20-11)15(19)13-8-10-4-2-3-5-12(10)17-13/h2-7,13,17H,8-9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 306.82 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76894872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).