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

C17H17FN2O2S3 — CID 110421228

IUPAC5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ncc(Cc3ccc(F)cc3)s2)s1
InChIInChI=1S/C17H17FN2O2S3/c1-2-14-7-8-17(24-14)25(21,22)20-11-16-19-10-15(23-16)9-12-3-5-13(18)6-4-12/h3-8,10,20H,2,9,11H2,1H3
InChIKeyNRJNSVCUMUGDNR-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.98
Rot. Bonds7

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

5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 110421228) has the molecular formula C17H17FN2O2S3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID110421228
Molecular FormulaC17H17FN2O2S3
Molecular Weight396.53 g/mol
Exact Mass396.04
IUPAC Name5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ncc(Cc3ccc(F)cc3)s2)s1
InChIInChI=1S/C17H17FN2O2S3/c1-2-14-7-8-17(24-14)25(21,22)20-11-16-19-10-15(23-16)9-12-3-5-13(18)6-4-12/h3-8,10,20H,2,9,11H2,1H3
InChIKeyNRJNSVCUMUGDNR-UHFFFAOYSA-N
XLogP3.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 110645151
N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110421238
5-ethyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-sulfonamide
CID 54947112
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054476
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 113252435
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 112997718
4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739007
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 103698184
4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 78819960
5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 87032101
5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid
CID 146092792
2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 110645265

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide (CID 110421228) is 5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2ncc(Cc3ccc(F)cc3)s2)s1.
What is the InChIKey of 5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is NRJNSVCUMUGDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S3/c1-2-14-7-8-17(24-14)25(21,22)20-11-16-19-10-15(23-16)9-12-3-5-13(18)6-4-12/h3-8,10,20H,2,9,11H2,1H3.
What are the key properties of 5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide?
5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 396.53 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110421228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).