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

C15H15ClN2OS — CID 60937937

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H15ClN2OS/c1-18(9-12-3-5-14(16)20-12)15(19)11-2-4-13-10(8-11)6-7-17-13/h2-5,8,17H,6-7,9H2,1H3
InChIKeyMZOOEMBVQXFSHW-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.64
Rot. Bonds3

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

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 60937937) 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-5-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID60937937
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H15ClN2OS/c1-18(9-12-3-5-14(16)20-12)15(19)11-2-4-13-10(8-11)6-7-17-13/h2-5,8,17H,6-7,9H2,1H3
InChIKeyMZOOEMBVQXFSHW-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzamide
CID 61116554
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18114829
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide
CID 9107639
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 60937969
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43514684
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60939384
N-[(5-chlorothiophen-2-yl)methyl]-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680930
4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 9087892
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 39932630
N-ethyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43265847

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide (CID 60937937) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide is CN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is MZOOEMBVQXFSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-18(9-12-3-5-14(16)20-12)15(19)11-2-4-13-10(8-11)6-7-17-13/h2-5,8,17H,6-7,9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 306.82 g/mol, XLogP of 3.64, 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-5-carboxamide is sourced from PubChem (CID 60937937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).