N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide

C18H25N3O3S — CID 78840941

IUPACN-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide
SMILESCN(C)CCCN(C(=O)c1cc2ccccc2[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H25N3O3S/c1-20(2)9-5-10-21(15-8-11-25(23,24)13-15)18(22)17-12-14-6-3-4-7-16(14)19-17/h3-4,6-7,12,15,19H,5,8-11,13H2,1-2H3
InChIKeyXWVXMBQWMALHFN-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.75
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide

N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide (PubChem CID 78840941) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide
PubChem CID78840941
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide
SMILESCN(C)CCCN(C(=O)c1cc2ccccc2[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H25N3O3S/c1-20(2)9-5-10-21(15-8-11-25(23,24)13-15)18(22)17-12-14-6-3-4-7-16(14)19-17/h3-4,6-7,12,15,19H,5,8-11,13H2,1-2H3
InChIKeyXWVXMBQWMALHFN-UHFFFAOYSA-N
XLogP1.75
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-enyl-1H-indole-2-carboxamide
CID 94820885
N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide
CID 60582042
N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 90606973
2-bromo-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 78824875
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 78840940
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-4-phenoxybenzamide
CID 78819601
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-phenyltriazole-4-carboxamide
CID 78859501
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78837678
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-4-(phenylsulfanylmethyl)benzamide
CID 78819618
5-bromo-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-3-carboxamide
CID 78851999
4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide
CID 78869791
N-[(3S)-1,1-dioxothiolan-3-yl]-1-oxo-N-prop-2-enyl-2H-isoquinoline-3-carboxamide
CID 95580806

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide (CID 78840941) is N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide is CN(C)CCCN(C(=O)c1cc2ccccc2[nH]1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide?
The InChIKey is XWVXMBQWMALHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-20(2)9-5-10-21(15-8-11-25(23,24)13-15)18(22)17-12-14-6-3-4-7-16(14)19-17/h3-4,6-7,12,15,19H,5,8-11,13H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide?
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 78840941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).