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

C12H17N3O2S3 — CID 110397970

IUPAC5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2csc(NC)n2)s1
InChIInChI=1S/C12H17N3O2S3/c1-3-10-4-5-11(19-10)20(16,17)14-7-6-9-8-18-12(13-2)15-9/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyCUTSSOJZGYOLGE-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.33
Rot. Bonds7

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

5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 110397970) has the molecular formula C12H17N3O2S3 and a molecular weight of 331.49 g/mol. Its IUPAC name is 5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
PubChem CID110397970
Molecular FormulaC12H17N3O2S3
Molecular Weight331.49 g/mol
Exact Mass331.05
IUPAC Name5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2csc(NC)n2)s1
InChIInChI=1S/C12H17N3O2S3/c1-3-10-4-5-11(19-10)20(16,17)14-7-6-9-8-18-12(13-2)15-9/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyCUTSSOJZGYOLGE-UHFFFAOYSA-N
XLogP2.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide
CID 110717928
4-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397943
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 110719630
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 110397975
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110398001
4-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoic acid
CID 110719686
5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 90537815
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397955
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397987

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide (CID 110397970) is 5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCc2csc(NC)n2)s1.
What is the InChIKey of 5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is CUTSSOJZGYOLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S3/c1-3-10-4-5-11(19-10)20(16,17)14-7-6-9-8-18-12(13-2)15-9/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of 5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 331.49 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110397970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).