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

C18H21N3O4S2 — CID 7586804

IUPACN-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
SMILESCCCNC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2
InChIInChI=1S/C18H21N3O4S2/c1-2-9-19-17(22)18(23)20-14-8-7-13-5-3-10-21(15(13)12-14)27(24,25)16-6-4-11-26-16/h4,6-8,11-12H,2-3,5,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyUPOFDPKOGJBITB-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.35
Rot. Bonds5

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

N-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide (PubChem CID 7586804) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide.

Molecular Properties

Compound NameN-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
PubChem CID7586804
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
SMILESCCCNC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2
InChIInChI=1S/C18H21N3O4S2/c1-2-9-19-17(22)18(23)20-14-8-7-13-5-3-10-21(15(13)12-14)27(24,25)16-6-4-11-26-16/h4,6-8,11-12H,2-3,5,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyUPOFDPKOGJBITB-UHFFFAOYSA-N
XLogP2.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
The IUPAC name of N-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide (CID 7586804) is N-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide.
What is the SMILES notation for N-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
The canonical SMILES for N-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide is CCCNC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2.
What is the InChIKey of N-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
The InChIKey is UPOFDPKOGJBITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-2-9-19-17(22)18(23)20-14-8-7-13-5-3-10-21(15(13)12-14)27(24,25)16-6-4-11-26-16/h4,6-8,11-12H,2-3,5,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
N-propyl-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, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide is sourced from PubChem (CID 7586804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).