N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide

C18H20N2O2S3 — CID 50835681

IUPACN-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCCc1ccccc1N(C)S(=O)(=O)c1cc(-c2nc(C)cs2)sc1C
InChIInChI=1S/C18H20N2O2S3/c1-5-14-8-6-7-9-15(14)20(4)25(21,22)17-10-16(24-13(17)3)18-19-12(2)11-23-18/h6-11H,5H2,1-4H3
InChIKeyPQQBEHDOVDPGDY-UHFFFAOYSA-N
MW392.57 g/mol
LogP4.88
Rot. Bonds5

About N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide

N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (PubChem CID 50835681) has the molecular formula C18H20N2O2S3 and a molecular weight of 392.57 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
PubChem CID50835681
Molecular FormulaC18H20N2O2S3
Molecular Weight392.57 g/mol
Exact Mass392.07
IUPAC NameN-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCCc1ccccc1N(C)S(=O)(=O)c1cc(-c2nc(C)cs2)sc1C
InChIInChI=1S/C18H20N2O2S3/c1-5-14-8-6-7-9-15(14)20(4)25(21,22)17-10-16(24-13(17)3)18-19-12(2)11-23-18/h6-11H,5H2,1-4H3
InChIKeyPQQBEHDOVDPGDY-UHFFFAOYSA-N
XLogP4.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-Benzothiazol-2-yl)thiophene-2-sulfonamide
CID 11687981
2-(3-Pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazole
CID 1033156
1-[3-(2-Methyl-thiazol-4-yl)-benzenesulfonyl]-piperidine
CID 943173
4-methyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2812981
2-[2-(Toluene-4-sulfonyl)-ethyl]-benzothiazole
CID 773538
1-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azepane
CID 888109
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-thiophen-2-yl-thiazole
CID 10273329
N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide
CID 25013557
N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 829863
N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 887333
N2-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795735
4-[2-(1,3-benzothiazol-2-yl)vinyl]-N,N-diethylbenzenesulfonamide
CID 10451940

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (CID 50835681) is N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is CCc1ccccc1N(C)S(=O)(=O)c1cc(-c2nc(C)cs2)sc1C.
What is the InChIKey of N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The InChIKey is PQQBEHDOVDPGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S3/c1-5-14-8-6-7-9-15(14)20(4)25(21,22)17-10-16(24-13(17)3)18-19-12(2)11-23-18/h6-11H,5H2,1-4H3.
What are the key properties of N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide has a molecular weight of 392.57 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 50835681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).