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

C17H18N2O2S3 — CID 53133547

IUPACN-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1csc(-c2csc(S(=O)(=O)Nc3ccccc3CC)c2)n1
InChIInChI=1S/C17H18N2O2S3/c1-3-12-7-5-6-8-15(12)19-24(20,21)16-9-13(10-22-16)17-18-14(4-2)11-23-17/h5-11,19H,3-4H2,1-2H3
InChIKeyGKKPKOSJMOIDTD-UHFFFAOYSA-N
MW378.54 g/mol
LogP4.80
Rot. Bonds6

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

N-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 53133547) has the molecular formula C17H18N2O2S3 and a molecular weight of 378.54 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
PubChem CID53133547
Molecular FormulaC17H18N2O2S3
Molecular Weight378.54 g/mol
Exact Mass378.05
IUPAC NameN-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1csc(-c2csc(S(=O)(=O)Nc3ccccc3CC)c2)n1
InChIInChI=1S/C17H18N2O2S3/c1-3-12-7-5-6-8-15(12)19-24(20,21)16-9-13(10-22-16)17-18-14(4-2)11-23-17/h5-11,19H,3-4H2,1-2H3
InChIKeyGKKPKOSJMOIDTD-UHFFFAOYSA-N
XLogP4.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 50839138
2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 78817000
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
4-(3-ethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)thiophene-2-sulfonamide
CID 46393030
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 46380290
N-[(2-chlorophenyl)methyl]-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50839136
2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455810
N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50839010
N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107531552

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 53133547) is N-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is CCc1csc(-c2csc(S(=O)(=O)Nc3ccccc3CC)c2)n1.
What is the InChIKey of N-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is GKKPKOSJMOIDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S3/c1-3-12-7-5-6-8-15(12)19-24(20,21)16-9-13(10-22-16)17-18-14(4-2)11-23-17/h5-11,19H,3-4H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
N-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 378.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53133547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).