N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide

C19H21N3O4S2 — CID 75466292

IUPACN-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(c1ccsc1C(=O)n1nc(C)cc1C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H21N3O4S2/c1-5-21(28(24,25)16-8-6-15(26-4)7-9-16)17-10-11-27-18(17)19(23)22-14(3)12-13(2)20-22/h6-12H,5H2,1-4H3
InChIKeyXGLQNOJSPLJPNG-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide

N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide (PubChem CID 75466292) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide
PubChem CID75466292
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC NameN-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(c1ccsc1C(=O)n1nc(C)cc1C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H21N3O4S2/c1-5-21(28(24,25)16-8-6-15(26-4)7-9-16)17-10-11-27-18(17)19(23)22-14(3)12-13(2)20-22/h6-12H,5H2,1-4H3
InChIKeyXGLQNOJSPLJPNG-UHFFFAOYSA-N
XLogP3.47
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide
CID 51358751
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 40796334
(3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 711754
N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide
CID 3670395
2-[2-(diethylamino)ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 42770888
N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 100526233
1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole
CID 57287286
4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715752
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide
CID 122264801
2-[[4-[carboxymethyl-(4-methoxyphenyl)sulfonylamino]-1-benzothiophen-6-yl]methyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 174327085
N-ethyl-N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 100532213
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 30454912

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide (CID 75466292) is N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide is CCN(c1ccsc1C(=O)n1nc(C)cc1C)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide?
The InChIKey is XGLQNOJSPLJPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-5-21(28(24,25)16-8-6-15(26-4)7-9-16)17-10-11-27-18(17)19(23)22-14(3)12-13(2)20-22/h6-12H,5H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide?
N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide has a molecular weight of 419.53 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 75466292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).