5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide

C19H22N4OS — CID 139769221

IUPAC5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCSN=Cc1cccc(NC(=O)N2CCc3cc(N(C)C)ccc32)c1
InChIInChI=1S/C19H22N4OS/c1-22(2)17-7-8-18-15(12-17)9-10-23(18)19(24)21-16-6-4-5-14(11-16)13-20-25-3/h4-8,11-13H,9-10H2,1-3H3,(H,21,24)
InChIKeyCRHNOYLMGGFDNS-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.04
Rot. Bonds4

About 5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide

5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 139769221) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID139769221
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCSN=Cc1cccc(NC(=O)N2CCc3cc(N(C)C)ccc32)c1
InChIInChI=1S/C19H22N4OS/c1-22(2)17-7-8-18-15(12-17)9-10-23(18)19(24)21-16-6-4-5-14(11-16)13-20-25-3/h4-8,11-13H,9-10H2,1-3H3,(H,21,24)
InChIKeyCRHNOYLMGGFDNS-UHFFFAOYSA-N
XLogP4.04
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
CID 139820772
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide
CID 157422187
1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone
CID 110746141
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
CID 108505690
N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 54137663
1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110454978
5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 110316221
2-[(3,5-dichlorophenyl)sulfanyl-[1-(pyridin-3-ylcarbamoyl)-2,3-dihydroindol-5-yl]amino]acetic acid
CID 88860037
N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
CID 162489929
N-(5-methylsulfanyl-3-pyridinyl)-2,3-dihydroindole-1-carboxamide
CID 67754562

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 139769221) is 5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide is CSN=Cc1cccc(NC(=O)N2CCc3cc(N(C)C)ccc32)c1.
What is the InChIKey of 5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is CRHNOYLMGGFDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-22(2)17-7-8-18-15(12-17)9-10-23(18)19(24)21-16-6-4-5-14(11-16)13-20-25-3/h4-8,11-13H,9-10H2,1-3H3,(H,21,24).
What are the key properties of 5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 139769221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).