N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide

C24H21N3O3S3 — CID 18900306

IUPACN-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2csc(NC(=O)CSc3cccc(NC(=O)c4cccs4)c3)n2)cc1
InChIInChI=1S/C24H21N3O3S3/c1-2-30-18-10-8-16(9-11-18)20-14-33-24(26-20)27-22(28)15-32-19-6-3-5-17(13-19)25-23(29)21-7-4-12-31-21/h3-14H,2,15H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyZLAWOIJKQZJIBJ-UHFFFAOYSA-N
MW495.65 g/mol
LogP6.25
Rot. Bonds9

About N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide

N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 18900306) has the molecular formula C24H21N3O3S3 and a molecular weight of 495.65 g/mol. Its IUPAC name is N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID18900306
Molecular FormulaC24H21N3O3S3
Molecular Weight495.65 g/mol
Exact Mass495.07
IUPAC NameN-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2csc(NC(=O)CSc3cccc(NC(=O)c4cccs4)c3)n2)cc1
InChIInChI=1S/C24H21N3O3S3/c1-2-30-18-10-8-16(9-11-18)20-14-33-24(26-20)27-22(28)15-32-19-6-3-5-17(13-19)25-23(29)21-7-4-12-31-21/h3-14H,2,15H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyZLAWOIJKQZJIBJ-UHFFFAOYSA-N
XLogP6.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.65
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]butanamide
CID 18899154
N-[(Z)-3-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 19303963
N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 18900090
N-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19303245
4-methoxy-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18899667
N-[(E)-1-(2,3-dichlorophenyl)-3-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19302379
N-[4-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 19711975
N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide
CID 18899520
N-[(E)-3-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-1-(4-hydroxy-2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19304611
4-methoxy-N-[3-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide
CID 18899663
N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 18900240
3-methyl-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18900459

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide (CID 18900306) is N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide is CCOc1ccc(-c2csc(NC(=O)CSc3cccc(NC(=O)c4cccs4)c3)n2)cc1.
What is the InChIKey of N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is ZLAWOIJKQZJIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S3/c1-2-30-18-10-8-16(9-11-18)20-14-33-24(26-20)27-22(28)15-32-19-6-3-5-17(13-19)25-23(29)21-7-4-12-31-21/h3-14H,2,15H2,1H3,(H,25,29)(H,26,27,28).
What are the key properties of N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 495.65 g/mol, XLogP of 6.25, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18900306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).