N,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C22H25N3O3S3 — CID 55435491

IUPACN,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C22H25N3O3S3/c1-4-24(5-2)31(27,28)18-8-9-19-16(13-18)7-6-11-25(19)22(26)20-15(3)23-21(30-20)17-10-12-29-14-17/h8-10,12-14H,4-7,11H2,1-3H3
InChIKeyBLYHYLYNZLZAAD-UHFFFAOYSA-N
MW475.66 g/mol
LogP4.80
Rot. Bonds6

About N,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

N,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55435491) has the molecular formula C22H25N3O3S3 and a molecular weight of 475.66 g/mol. Its IUPAC name is N,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55435491
Molecular FormulaC22H25N3O3S3
Molecular Weight475.66 g/mol
Exact Mass475.11
IUPAC NameN,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C22H25N3O3S3/c1-4-24(5-2)31(27,28)18-8-9-19-16(13-18)7-6-11-25(19)22(26)20-15(3)23-21(30-20)17-10-12-29-14-17/h8-10,12-14H,4-7,11H2,1-3H3
InChIKeyBLYHYLYNZLZAAD-UHFFFAOYSA-N
XLogP4.80
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 54.80
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-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55435491) is N,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1sc(-c2ccsc2)nc1C.
What is the InChIKey of N,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is BLYHYLYNZLZAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S3/c1-4-24(5-2)31(27,28)18-8-9-19-16(13-18)7-6-11-25(19)22(26)20-15(3)23-21(30-20)17-10-12-29-14-17/h8-10,12-14H,4-7,11H2,1-3H3.
What are the key properties of N,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
N,N-diethyl-1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 475.66 g/mol, XLogP of 4.80, 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-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55435491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).