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

C16H16N2O2S3 — CID 3243477

IUPAC5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)s1
InChIInChI=1S/C16H16N2O2S3/c1-2-14-8-9-15(22-14)23(19,20)17-10-13-11-21-16(18-13)12-6-4-3-5-7-12/h3-9,11,17H,2,10H2,1H3
InChIKeyNXPJYYSGKGACDZ-UHFFFAOYSA-N
MW364.52 g/mol
LogP3.91
Rot. Bonds6

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

5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 3243477) has the molecular formula C16H16N2O2S3 and a molecular weight of 364.52 g/mol. Its IUPAC name is 5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID3243477
Molecular FormulaC16H16N2O2S3
Molecular Weight364.52 g/mol
Exact Mass364.04
IUPAC Name5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)s1
InChIInChI=1S/C16H16N2O2S3/c1-2-14-8-9-15(22-14)23(19,20)17-10-13-11-21-16(18-13)12-6-4-3-5-7-12/h3-9,11,17H,2,10H2,1H3
InChIKeyNXPJYYSGKGACDZ-UHFFFAOYSA-N
XLogP3.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 73507388
N-(3-Methylbutyl)-4-(2-Methyl-1,3-Thiazol-4-Yl)benzenesulfonamide
CID 74766015
1-[3-(2-Methyl-thiazol-4-yl)-benzenesulfonyl]-piperidine
CID 943173
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-methyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2812981
1-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azepane
CID 888109
5-Ethyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 10335742
5-Methyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 10424840
5-Methylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536889
5-Methylsulfanyl-4-(2-phenyl-thiazol-4-yl)-thiophene-2-carboxamidine
CID 18537077
1-[5-(benzenesulfonyl)-4-phenyl-1,3-thiazol-2-yl]-N-methylmethanamine
CID 57687718

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (CID 3243477) is 5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)s1.
What is the InChIKey of 5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is NXPJYYSGKGACDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S3/c1-2-14-8-9-15(22-14)23(19,20)17-10-13-11-21-16(18-13)12-6-4-3-5-7-12/h3-9,11,17H,2,10H2,1H3.
What are the key properties of 5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 364.52 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3243477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).