N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide

C18H21N3O4S — CID 71449025

IUPACN-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide
SMILESCN(C(=O)CNC(=O)c1ccc2ccccc2n1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C18H21N3O4S/c1-21(14-8-10-26(24,25)11-9-14)17(22)12-19-18(23)16-7-6-13-4-2-3-5-15(13)20-16/h2-7,14H,8-12H2,1H3,(H,19,23)
InChIKeyLISTXHOYNHZSHY-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.00
Rot. Bonds4

About N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide

N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide (PubChem CID 71449025) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide
PubChem CID71449025
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide
SMILESCN(C(=O)CNC(=O)c1ccc2ccccc2n1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C18H21N3O4S/c1-21(14-8-10-26(24,25)11-9-14)17(22)12-19-18(23)16-7-6-13-4-2-3-5-15(13)20-16/h2-7,14H,8-12H2,1H3,(H,19,23)
InChIKeyLISTXHOYNHZSHY-UHFFFAOYSA-N
XLogP1.00
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-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

2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoro-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 71767252
N-benzylquinoline-2-carboxamide
CID 1547970
(S)-3-(methylsulfonylmethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 16064397
3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065257
(S)-3-(methylsulfonyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 16065390
3-(ethylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065391
3-(2-(methylsulfinyl)ethyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 53325403
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoyl]amino]butyl]boronic acid
CID 24861584
N-[2-(dimethylamino)-2-phenylethyl]quinoline-2-carboxamide
CID 3441910
N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide
CID 4589156
3-(isopropylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 53323749
N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 2490964

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide (CID 71449025) is N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide is CN(C(=O)CNC(=O)c1ccc2ccccc2n1)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide?
The InChIKey is LISTXHOYNHZSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-21(14-8-10-26(24,25)11-9-14)17(22)12-19-18(23)16-7-6-13-4-2-3-5-15(13)20-16/h2-7,14H,8-12H2,1H3,(H,19,23).
What are the key properties of N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide?
N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]quinoline-2-carboxamide is sourced from PubChem (CID 71449025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).