N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C21H23N3O3S3 — CID 55435486

IUPACN,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C21H23N3O3S3/c1-3-23(4-2)30(26,27)16-9-10-18-15(13-16)7-5-11-24(18)21(25)17-14-29-20(22-17)19-8-6-12-28-19/h6,8-10,12-14H,3-5,7,11H2,1-2H3
InChIKeyNPFYUINAGUIMNL-UHFFFAOYSA-N
MW461.63 g/mol
LogP4.50
Rot. Bonds6

About N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55435486) has the molecular formula C21H23N3O3S3 and a molecular weight of 461.63 g/mol. Its IUPAC name is N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55435486
Molecular FormulaC21H23N3O3S3
Molecular Weight461.63 g/mol
Exact Mass461.09
IUPAC NameN,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C21H23N3O3S3/c1-3-23(4-2)30(26,27)16-9-10-18-15(13-16)7-5-11-24(18)21(25)17-14-29-20(22-17)19-8-6-12-28-19/h6,8-10,12-14H,3-5,7,11H2,1-2H3
InChIKeyNPFYUINAGUIMNL-UHFFFAOYSA-N
XLogP4.50
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55435486) is N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is NPFYUINAGUIMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S3/c1-3-23(4-2)30(26,27)16-9-10-18-15(13-16)7-5-11-24(18)21(25)17-14-29-20(22-17)19-8-6-12-28-19/h6,8-10,12-14H,3-5,7,11H2,1-2H3.
What are the key properties of N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 461.63 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55435486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).