N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide

C16H16N2OS — CID 63717490

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H16N2OS/c1-11-6-8-20-15(11)10-18(2)16(19)13-3-4-14-12(9-13)5-7-17-14/h3-9,17H,10H2,1-2H3
InChIKeyMBHXMDFINIBRAS-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.81
Rot. Bonds3

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

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide (PubChem CID 63717490) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide
PubChem CID63717490
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H16N2OS/c1-11-6-8-20-15(11)10-18(2)16(19)13-3-4-14-12(9-13)5-7-17-14/h3-9,17H,10H2,1-2H3
InChIKeyMBHXMDFINIBRAS-UHFFFAOYSA-N
XLogP3.81
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 60651360
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51181597
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60939384
N-butyl-N-methyl-1H-indole-5-carboxamide
CID 63717689
N-methyl-4-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitrobenzamide
CID 18115430
3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 113460696
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide
CID 63718786
4-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitrobenzamide
CID 9020526
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-6-carboxamide
CID 64510794
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55567347
2-[1H-indole-5-carbonyl(methyl)amino]butanoic acid
CID 63748775

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide (CID 63717490) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide is Cc1ccsc1CN(C)C(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide?
The InChIKey is MBHXMDFINIBRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-6-8-20-15(11)10-18(2)16(19)13-3-4-14-12(9-13)5-7-17-14/h3-9,17H,10H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 63717490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).