5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide

C11H14N2O2S3 — CID 3237364

IUPAC5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2csc(C)n2)s1
InChIInChI=1S/C11H14N2O2S3/c1-3-10-4-5-11(17-10)18(14,15)12-6-9-7-16-8(2)13-9/h4-5,7,12H,3,6H2,1-2H3
InChIKeyOGMFGLAKQDUKOR-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.55
Rot. Bonds5

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

5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 3237364) has the molecular formula C11H14N2O2S3 and a molecular weight of 302.45 g/mol. Its IUPAC name is 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID3237364
Molecular FormulaC11H14N2O2S3
Molecular Weight302.45 g/mol
Exact Mass302.02
IUPAC Name5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2csc(C)n2)s1
InChIInChI=1S/C11H14N2O2S3/c1-3-10-4-5-11(17-10)18(14,15)12-6-9-7-16-8(2)13-9/h4-5,7,12H,3,6H2,1-2H3
InChIKeyOGMFGLAKQDUKOR-UHFFFAOYSA-N
XLogP2.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-2-thiophenesulfonamide
CID 2738769
N,N-Diethyl-5-(2-methyl-4-thiazolyl)-2-thiophenesulfonamide
CID 2795581
4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 23603416
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738759
2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 5310200
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 23603418
4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 23603420
2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 3240550
5-ethyl-N-(2-(2-methylthiazol-4-yl)ethyl)thiophene-2-sulfonamide
CID 16195696
3-Fluoro-N-[(2-methyl-1,3-thiazol-4-YL)methyl]benzene-1-sulfonamide
CID 3236819
N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 6623493

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (CID 3237364) is 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2csc(C)n2)s1.
What is the InChIKey of 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is OGMFGLAKQDUKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S3/c1-3-10-4-5-11(17-10)18(14,15)12-6-9-7-16-8(2)13-9/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 302.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3237364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).