N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide

C14H17NO2S2 — CID 47308966

IUPACN-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)s1
InChIInChI=1S/C14H17NO2S2/c1-4-13-7-8-14(18-13)19(16,17)15-12-6-5-10(2)11(3)9-12/h5-9,15H,4H2,1-3H3
InChIKeyBCEYEKYOAGMHAP-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.73
Rot. Bonds4

About N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide

N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 47308966) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
PubChem CID47308966
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)s1
InChIInChI=1S/C14H17NO2S2/c1-4-13-7-8-14(18-13)19(16,17)15-12-6-5-10(2)11(3)9-12/h5-9,15H,4H2,1-3H3
InChIKeyBCEYEKYOAGMHAP-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43155731
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(3-amino-4-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454417
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123
5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide
CID 110729074
N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide
CID 47309319
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106058540
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide (CID 47308966) is N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)s1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is BCEYEKYOAGMHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-4-13-7-8-14(18-13)19(16,17)15-12-6-5-10(2)11(3)9-12/h5-9,15H,4H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide?
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 295.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 47308966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).