N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide

C20H22N2O2S — CID 20954542

IUPACN-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccccc2CC1C(=O)NCc1ccc(SC)cc1
InChIInChI=1S/C20H22N2O2S/c1-3-19(23)22-17-7-5-4-6-15(17)12-18(22)20(24)21-13-14-8-10-16(25-2)11-9-14/h4-11,18H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyLWZNHFLAYKLGGP-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.39
Rot. Bonds5

About N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide

N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide (PubChem CID 20954542) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
PubChem CID20954542
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccccc2CC1C(=O)NCc1ccc(SC)cc1
InChIInChI=1S/C20H22N2O2S/c1-3-19(23)22-17-7-5-4-6-15(17)12-18(22)20(24)21-13-14-8-10-16(25-2)11-9-14/h4-11,18H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyLWZNHFLAYKLGGP-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-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)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20954736
N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954495
N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954507
1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954539
N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954482
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954540
N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide
CID 18588020
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
CID 41429200
(2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41429074
(2S)-N-[[4-(dimethylamino)phenyl]methyl]-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 92725537

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide (CID 20954542) is N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide is CCC(=O)N1c2ccccc2CC1C(=O)NCc1ccc(SC)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is LWZNHFLAYKLGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-19(23)22-17-7-5-4-6-15(17)12-18(22)20(24)21-13-14-8-10-16(25-2)11-9-14/h4-11,18H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide?
N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).