N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide

C17H20N2O3S — CID 94668550

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide
SMILESC=CCN(C(=O)c1cc2ccccc2n1C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H20N2O3S/c1-3-9-19(14-8-10-23(21,22)12-14)17(20)16-11-13-6-4-5-7-15(13)18(16)2/h3-7,11,14H,1,8-10,12H2,2H3/t14-/m0/s1
InChIKeyLZGJDHFRFIRNEN-AWEZNQCLSA-N
MW332.43 g/mol
LogP1.99
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide (PubChem CID 94668550) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide
PubChem CID94668550
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide
SMILESC=CCN(C(=O)c1cc2ccccc2n1C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H20N2O3S/c1-3-9-19(14-8-10-23(21,22)12-14)17(20)16-11-13-6-4-5-7-15(13)18(16)2/h3-7,11,14H,1,8-10,12H2,2H3/t14-/m0/s1
InChIKeyLZGJDHFRFIRNEN-AWEZNQCLSA-N
XLogP1.99
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide
CID 7476902
N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-enyl-1H-indole-2-carboxamide
CID 94820885
N-(1,1-dioxothiolan-3-yl)-1-methyl-3-(2-methylpropyl)-N-prop-2-enylpyrazole-5-carboxamide
CID 50952809
N-[(3S)-1,1-dioxothiolan-3-yl]-1-oxo-N-prop-2-enyl-2H-isoquinoline-3-carboxamide
CID 95580806
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-prop-2-enyl-1-benzofuran-7-carboxamide
CID 131933758
2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid
CID 119194680
4-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoro-N-prop-2-enylbenzamide
CID 95143047
N-(1,1-dioxothiolan-3-yl)-5-methyl-1-(2-methylphenyl)-N-prop-2-enylpyrazole-4-carboxamide
CID 51124307
N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide
CID 99975558
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-1-methylindole-2-carboxamide
CID 51093220
3-amino-N-(1,1-dioxothiolan-3-yl)-3-phenyl-N-prop-2-enylpropanamide
CID 119950451
N-(1,1-dioxothiolan-3-yl)-1-phenyl-N-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 60560818

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide (CID 94668550) is N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide is C=CCN(C(=O)c1cc2ccccc2n1C)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide?
The InChIKey is LZGJDHFRFIRNEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-9-19(14-8-10-23(21,22)12-14)17(20)16-11-13-6-4-5-7-15(13)18(16)2/h3-7,11,14H,1,8-10,12H2,2H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide is sourced from PubChem (CID 94668550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).