N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide

C18H21N3O4S2 — CID 7586816

IUPACN'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
SMILESCC(C)NC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2
InChIInChI=1S/C18H21N3O4S2/c1-12(2)19-17(22)18(23)20-14-8-7-13-5-3-9-21(15(13)11-14)27(24,25)16-6-4-10-26-16/h4,6-8,10-12H,3,5,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyDXHFXIQAZVLNRN-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.35
Rot. Bonds4

About N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide

N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide (PubChem CID 7586816) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide.

Molecular Properties

Compound NameN'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
PubChem CID7586816
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
SMILESCC(C)NC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2
InChIInChI=1S/C18H21N3O4S2/c1-12(2)19-17(22)18(23)20-14-8-7-13-5-3-9-21(15(13)11-14)27(24,25)16-6-4-10-26-16/h4,6-8,10-12H,3,5,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyDXHFXIQAZVLNRN-UHFFFAOYSA-N
XLogP2.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide 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

N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
CID 20963034
2-[(4-methylphenyl)(thien-2-ylsulfonyl)amino]-N-(thien-2-ylmethyl)acetamide
CID 3236370
N~1~-(3-fluoro-4-methylphenyl)-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3238020
N~1~-(3-fluoro-4-methylphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3245041
1-propionyl-N-(thien-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3245271
N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 3605123
N~1~-(3-ethylphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 4318849
2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 4801274
N-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7586804
N-prop-2-enyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7586806

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
The IUPAC name of N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide (CID 7586816) is N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide.
What is the SMILES notation for N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
The canonical SMILES for N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide is CC(C)NC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2.
What is the InChIKey of N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
The InChIKey is DXHFXIQAZVLNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-12(2)19-17(22)18(23)20-14-8-7-13-5-3-9-21(15(13)11-14)27(24,25)16-6-4-10-26-16/h4,6-8,10-12H,3,5,9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide has a molecular weight of 407.52 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide is sourced from PubChem (CID 7586816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).