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

C17H18N2O3S3 — CID 23603449

IUPAC5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2csc(-c3ccc(OC)cc3)n2)s1
InChIInChI=1S/C17H18N2O3S3/c1-3-15-8-9-16(24-15)25(20,21)18-10-13-11-23-17(19-13)12-4-6-14(22-2)7-5-12/h4-9,11,18H,3,10H2,1-2H3
InChIKeyGKWTXDPRIHPJBJ-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.92
Rot. Bonds7

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

5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 23603449) has the molecular formula C17H18N2O3S3 and a molecular weight of 394.54 g/mol. Its IUPAC name is 5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
PubChem CID23603449
Molecular FormulaC17H18N2O3S3
Molecular Weight394.54 g/mol
Exact Mass394.05
IUPAC Name5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2csc(-c3ccc(OC)cc3)n2)s1
InChIInChI=1S/C17H18N2O3S3/c1-3-15-8-9-16(24-15)25(20,21)18-10-13-11-23-17(19-13)12-4-6-14(22-2)7-5-12/h4-9,11,18H,3,10H2,1-2H3
InChIKeyGKWTXDPRIHPJBJ-UHFFFAOYSA-N
XLogP3.92
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
2,5-dimethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 108784363
5-ethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714698
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
CID 110322885
5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 87032101
5-ethyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-sulfonamide
CID 54947112
5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110397970
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide
CID 110717928
N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846990
N-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methyl]-5-ethylthiophene-2-sulfonamide
CID 110393844
5-ethyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide
CID 110324960

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide (CID 23603449) is 5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2csc(-c3ccc(OC)cc3)n2)s1.
What is the InChIKey of 5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is GKWTXDPRIHPJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S3/c1-3-15-8-9-16(24-15)25(20,21)18-10-13-11-23-17(19-13)12-4-6-14(22-2)7-5-12/h4-9,11,18H,3,10H2,1-2H3.
What are the key properties of 5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide?
5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 394.54 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 23603449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).