4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide

C14H14N2O2S4 — CID 46394470

IUPAC4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESCc1csc(-c2csc(S(=O)(=O)NCCc3cccs3)c2)n1
InChIInChI=1S/C14H14N2O2S4/c1-10-8-21-14(16-10)11-7-13(20-9-11)22(17,18)15-5-4-12-3-2-6-19-12/h2-3,6-9,15H,4-5H2,1H3
InChIKeyOCTXZRFPMOJGIO-UHFFFAOYSA-N
MW370.55 g/mol
LogP3.76
Rot. Bonds6

About 4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide

4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide (PubChem CID 46394470) has the molecular formula C14H14N2O2S4 and a molecular weight of 370.55 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
PubChem CID46394470
Molecular FormulaC14H14N2O2S4
Molecular Weight370.55 g/mol
Exact Mass369.99
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESCc1csc(-c2csc(S(=O)(=O)NCCc3cccs3)c2)n1
InChIInChI=1S/C14H14N2O2S4/c1-10-8-21-14(16-10)11-7-13(20-9-11)22(17,18)15-5-4-12-3-2-6-19-12/h2-3,6-9,15H,4-5H2,1H3
InChIKeyOCTXZRFPMOJGIO-UHFFFAOYSA-N
XLogP3.76
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 46380257
5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 79931997
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 51044020
4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79588588
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 50839105
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
5-amino-4-bromo-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 114624888
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 7119085
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110675358
4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
CID 46393018
4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 53133711
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide
CID 49454127

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide (CID 46394470) is 4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide is Cc1csc(-c2csc(S(=O)(=O)NCCc3cccs3)c2)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The InChIKey is OCTXZRFPMOJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S4/c1-10-8-21-14(16-10)11-7-13(20-9-11)22(17,18)15-5-4-12-3-2-6-19-12/h2-3,6-9,15H,4-5H2,1H3.
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide has a molecular weight of 370.55 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 46394470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).