N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide

C16H16N2OS — CID 3245460

IUPACN-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc2cc(CNC(=O)c3cccs3)ccc2n1C
InChIInChI=1S/C16H16N2OS/c1-11-8-13-9-12(5-6-14(13)18(11)2)10-17-16(19)15-4-3-7-20-15/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyAPYOIVQZTSVOAN-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.48
Rot. Bonds3

About N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide

N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide (PubChem CID 3245460) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
PubChem CID3245460
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc2cc(CNC(=O)c3cccs3)ccc2n1C
InChIInChI=1S/C16H16N2OS/c1-11-8-13-9-12(5-6-14(13)18(11)2)10-17-16(19)15-4-3-7-20-15/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyAPYOIVQZTSVOAN-UHFFFAOYSA-N
XLogP3.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
CID 5080692
2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 4123208
N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 3244822
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 5175509
4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 110668205
3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea
CID 110427865
N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide
CID 3239976
(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide
CID 7141272
N-benzylthiophene-2-carboxamide
CID 574227
N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide
CID 4919616
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999191

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide (CID 3245460) is N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide is Cc1cc2cc(CNC(=O)c3cccs3)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide?
The InChIKey is APYOIVQZTSVOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-8-13-9-12(5-6-14(13)18(11)2)10-17-16(19)15-4-3-7-20-15/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide?
N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 3245460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).