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

C17H18N2OS — CID 46961703

IUPACN,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1[nH]c2ccccc2c1C
InChIInChI=1S/C17H18N2OS/c1-11-8-9-21-15(11)10-19(3)17(20)16-12(2)13-6-4-5-7-14(13)18-16/h4-9,18H,10H2,1-3H3
InChIKeyGMIOFSPCXNIHRX-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.12
Rot. Bonds3

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

N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 46961703) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
PubChem CID46961703
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1[nH]c2ccccc2c1C
InChIInChI=1S/C17H18N2OS/c1-11-8-9-21-15(11)10-19(3)17(20)16-12(2)13-6-4-5-7-14(13)18-16/h4-9,18H,10H2,1-3H3
InChIKeyGMIOFSPCXNIHRX-UHFFFAOYSA-N
XLogP4.12
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040323
(2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one
CID 9434127
2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 39951443
N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide
CID 113204974
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62082818
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 60651360
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide (CID 46961703) is N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide is Cc1ccsc1CN(C)C(=O)c1[nH]c2ccccc2c1C.
What is the InChIKey of N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is GMIOFSPCXNIHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-8-9-21-15(11)10-19(3)17(20)16-12(2)13-6-4-5-7-14(13)18-16/h4-9,18H,10H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide?
N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46961703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).