N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C18H21N3O3S — CID 33090929

IUPACN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccsc1
InChIInChI=1S/C18H21N3O3S/c1-21(2)15(11-6-7-25-10-11)9-19-17(23)13-8-12-14(20-18(13)24)4-3-5-16(12)22/h6-8,10,15H,3-5,9H2,1-2H3,(H,19,23)(H,20,24)/t15-/m1/s1
InChIKeyAQESECCNULWVGB-OAHLLOKOSA-N
MW359.45 g/mol
LogP1.99
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 33090929) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID33090929
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccsc1
InChIInChI=1S/C18H21N3O3S/c1-21(2)15(11-6-7-25-10-11)9-19-17(23)13-8-12-14(20-18(13)24)4-3-5-16(12)22/h6-8,10,15H,3-5,9H2,1-2H3,(H,19,23)(H,20,24)/t15-/m1/s1
InChIKeyAQESECCNULWVGB-OAHLLOKOSA-N
XLogP1.99
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976208
2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51078200
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 42549056
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-carboxamide
CID 32630977
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
5-bromo-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-hydroxybenzamide
CID 32631312
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide
CID 42953753
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
1-acetyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 47024535
1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 32633489

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 33090929) is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CN(C)[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccsc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is AQESECCNULWVGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-21(2)15(11-6-7-25-10-11)9-19-17(23)13-8-12-14(20-18(13)24)4-3-5-16(12)22/h6-8,10,15H,3-5,9H2,1-2H3,(H,19,23)(H,20,24)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 33090929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).