N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

C17H18N2O2S3 — CID 50846922

IUPACN-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)s2)n1
InChIInChI=1S/C17H18N2O2S3/c1-4-13-10-22-17(18-13)15-7-8-16(23-15)24(20,21)19-14-6-5-11(2)12(3)9-14/h5-10,19H,4H2,1-3H3
InChIKeyXRPWFQLKPRBASV-UHFFFAOYSA-N
MW378.54 g/mol
LogP4.85
Rot. Bonds5

About N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 50846922) has the molecular formula C17H18N2O2S3 and a molecular weight of 378.54 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
PubChem CID50846922
Molecular FormulaC17H18N2O2S3
Molecular Weight378.54 g/mol
Exact Mass378.05
IUPAC NameN-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)s2)n1
InChIInChI=1S/C17H18N2O2S3/c1-4-13-10-22-17(18-13)15-7-8-16(23-15)24(20,21)19-14-6-5-11(2)12(3)9-14/h5-10,19H,4H2,1-3H3
InChIKeyXRPWFQLKPRBASV-UHFFFAOYSA-N
XLogP4.85
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846990
N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846699
5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43155731
N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50847156
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846960
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
N-(3,4-dimethylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 59631957
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936257
5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide
CID 112985267
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 50846922) is N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is CCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)s2)n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is XRPWFQLKPRBASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S3/c1-4-13-10-22-17(18-13)15-7-8-16(23-15)24(20,21)19-14-6-5-11(2)12(3)9-14/h5-10,19H,4H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 378.54 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 50846922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).