N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C22H25N3O3S3 — CID 55435258

IUPACN,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C22H25N3O3S3/c1-3-24(4-2)31(27,28)18-9-10-19-16(13-18)7-5-11-25(19)21(26)14-17-15-30-22(23-17)20-8-6-12-29-20/h6,8-10,12-13,15H,3-5,7,11,14H2,1-2H3
InChIKeySSDARGZSYAXPDU-UHFFFAOYSA-N
MW475.66 g/mol
LogP4.42
Rot. Bonds7

About N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55435258) has the molecular formula C22H25N3O3S3 and a molecular weight of 475.66 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55435258
Molecular FormulaC22H25N3O3S3
Molecular Weight475.66 g/mol
Exact Mass475.11
IUPAC NameN,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C22H25N3O3S3/c1-3-24(4-2)31(27,28)18-9-10-19-16(13-18)7-5-11-25(19)21(26)14-17-15-30-22(23-17)20-8-6-12-29-20/h6,8-10,12-13,15H,3-5,7,11,14H2,1-2H3
InChIKeySSDARGZSYAXPDU-UHFFFAOYSA-N
XLogP4.42
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 54.42
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-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55435258) is N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is SSDARGZSYAXPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S3/c1-3-24(4-2)31(27,28)18-9-10-19-16(13-18)7-5-11-25(19)21(26)14-17-15-30-22(23-17)20-8-6-12-29-20/h6,8-10,12-13,15H,3-5,7,11,14H2,1-2H3.
What are the key properties of N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 475.66 g/mol, XLogP of 4.42, 7 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-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55435258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).