N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide

C18H19N3OS — CID 82032292

IUPACN-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCC1Cc2ccccc2N1CC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C18H19N3OS/c1-12-9-13-5-2-3-8-16(13)21(12)11-17(22)20-15-7-4-6-14(10-15)18(19)23/h2-8,10,12H,9,11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyZXIKLNKLBXKBBI-UHFFFAOYSA-N
MW325.44 g/mol
LogP2.71
Rot. Bonds4

About N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide

N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (PubChem CID 82032292) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
PubChem CID82032292
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCC1Cc2ccccc2N1CC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C18H19N3OS/c1-12-9-13-5-2-3-8-16(13)21(12)11-17(22)20-15-7-4-6-14(10-15)18(19)23/h2-8,10,12H,9,11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyZXIKLNKLBXKBBI-UHFFFAOYSA-N
XLogP2.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 4818217
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
CID 2652852
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 51159788
N-(3-chloro-4-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 109008682
(2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide
CID 52800953
2-(2-methyl-2,3-dihydroindol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46657873
N-cyclopropyl-3-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 24566735
N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 24709451
N-(2,6-diethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22199993
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2161891
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-N-naphthalen-1-ylacetamide
CID 25357225

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (CID 82032292) is N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide is CC1Cc2ccccc2N1CC(=O)Nc1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is ZXIKLNKLBXKBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-9-13-5-2-3-8-16(13)21(12)11-17(22)20-15-7-4-6-14(10-15)18(19)23/h2-8,10,12H,9,11H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 325.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 82032292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).