3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide

C18H21NOS — CID 14054115

IUPAC3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc2c1C(C)CC2(C)C
InChIInChI=1S/C18H21NOS/c1-11-8-9-21-16(11)17(20)19-14-7-5-6-13-15(14)12(2)10-18(13,3)4/h5-9,12H,10H2,1-4H3,(H,19,20)
InChIKeyCUHWTGLXKFTATG-UHFFFAOYSA-N
MW299.44 g/mol
LogP5.09
Rot. Bonds2

About 3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide

3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide (PubChem CID 14054115) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide
PubChem CID14054115
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc2c1C(C)CC2(C)C
InChIInChI=1S/C18H21NOS/c1-11-8-9-21-16(11)17(20)19-14-7-5-6-13-15(14)12(2)10-18(13,3)4/h5-9,12H,10H2,1-4H3,(H,19,20)
InChIKeyCUHWTGLXKFTATG-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-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

(2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide
CID 22883510
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide
CID 67894191
2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide
CID 154329705
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
[2-[(3-methylthiophene-2-carbonyl)amino]phenyl]boronic acid
CID 58689740
N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide
CID 112770069
N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide
CID 26515720
N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
CID 107805808
N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 114298265

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide (CID 14054115) is 3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cccc2c1C(C)CC2(C)C.
What is the InChIKey of 3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide?
The InChIKey is CUHWTGLXKFTATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-11-8-9-21-16(11)17(20)19-14-7-5-6-13-15(14)12(2)10-18(13,3)4/h5-9,12H,10H2,1-4H3,(H,19,20).
What are the key properties of 3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide?
3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 14054115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).