N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide

C22H29N3O2S — CID 3190318

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CCN1CCc2ccccc21
InChIInChI=1S/C22H29N3O2S/c1-22(2,3)23-20(26)16-25(15-18-8-6-14-28-18)21(27)11-13-24-12-10-17-7-4-5-9-19(17)24/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26)
InChIKeyCAHJSWKXQYHACS-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.44
Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 3190318) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID3190318
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CCN1CCc2ccccc21
InChIInChI=1S/C22H29N3O2S/c1-22(2,3)23-20(26)16-25(15-18-8-6-14-28-18)21(27)11-13-24-12-10-17-7-4-5-9-19(17)24/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26)
InChIKeyCAHJSWKXQYHACS-UHFFFAOYSA-N
XLogP3.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide 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

N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 2455483
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 17413594
1-[3-(2-Thienyl)acryloyl]indoline
CID 885474
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-3-ethyl-1H-indol-2-one
CID 11566558
(E)-2-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)-N-(p-tolyl)acetamide
CID 1613195
(E)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2423320
(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 2487215
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanone
CID 2971209
2,3-Dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 2997806
Thiophene-2-carboxylic acid [(cyclohexylcarbamoylmethyl-o-tolyl-carbamoyl)-methyl]-amide
CID 3211305
N-Tert-butyl-2-[N-(2,3-dimethylphenyl)-2-(thiophen-2-ylformamido)acetamido]acetamide
CID 3215660
N-[2-(tert-butylamino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 3226582

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 3190318) is N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide is CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CCN1CCc2ccccc21.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is CAHJSWKXQYHACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-22(2,3)23-20(26)16-25(15-18-8-6-14-28-18)21(27)11-13-24-12-10-17-7-4-5-9-19(17)24/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 399.56 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 3190318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).