N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide

C18H21N3O2S2 — CID 134002347

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2cccs2)N(C)C)c2cccnc12
InChIInChI=1S/C18H21N3O2S2/c1-13-8-9-17(14-6-4-10-19-18(13)14)25(22,23)20-12-15(21(2)3)16-7-5-11-24-16/h4-11,15,20H,12H2,1-3H3
InChIKeyJNZULNKVAQNNFQ-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide (PubChem CID 134002347) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide
PubChem CID134002347
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2cccs2)N(C)C)c2cccnc12
InChIInChI=1S/C18H21N3O2S2/c1-13-8-9-17(14-6-4-10-19-18(13)14)25(22,23)20-12-15(21(2)3)16-7-5-11-24-16/h4-11,15,20H,12H2,1-3H3
InChIKeyJNZULNKVAQNNFQ-UHFFFAOYSA-N
XLogP3.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 45003164
N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591254
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide
CID 51339573
8-methyl-N-(2-pyridin-2-ylethyl)quinoline-5-sulfonamide
CID 134034355
2-[(8-methylquinolin-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 134002702
2-[(8-methylquinolin-5-yl)sulfonylamino]ethanethioamide
CID 104773629
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 30835815
N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide
CID 104774039
N,N-dimethyl-N'-(methylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
CID 110621528
5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide
CID 97046731

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide (CID 134002347) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)NCC(c2cccs2)N(C)C)c2cccnc12.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide?
The InChIKey is JNZULNKVAQNNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-13-8-9-17(14-6-4-10-19-18(13)14)25(22,23)20-12-15(21(2)3)16-7-5-11-24-16/h4-11,15,20H,12H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide has a molecular weight of 375.52 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 134002347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).