N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C17H19N3O3S2 — CID 20947504

IUPACN-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)cc1
InChIInChI=1S/C17H19N3O3S2/c1-3-23-14-6-4-13(5-7-14)11-18-25(21,22)17-9-8-16(24-17)15-10-12(2)19-20-15/h4-10,18H,3,11H2,1-2H3,(H,19,20)
InChIKeySDYFDOVBELUJJX-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.32
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 20947504) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID20947504
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)cc1
InChIInChI=1S/C17H19N3O3S2/c1-3-23-14-6-4-13(5-7-14)11-18-25(21,22)17-9-8-16(24-17)15-10-12(2)19-20-15/h4-10,18H,3,11H2,1-2H3,(H,19,20)
InChIKeySDYFDOVBELUJJX-UHFFFAOYSA-N
XLogP3.32
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780906
N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083734
N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083736
N-benzyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083784
5-(5-methyl-1H-pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 20947489
5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 55913944
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936314
N-(2-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947495
N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151894
N-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 50842741
N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 20947504) is N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is CCOc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is SDYFDOVBELUJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-3-23-14-6-4-13(5-7-14)11-18-25(21,22)17-9-8-16(24-17)15-10-12(2)19-20-15/h4-10,18H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 377.49 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).