2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide

C23H18ClN3O2S2 — CID 55571676

IUPAC2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C23H18ClN3O2S2/c1-13-19(14-7-3-2-4-8-14)20(21(25)29)23(31-13)27-18(28)11-15-12-30-22(26-15)16-9-5-6-10-17(16)24/h2-10,12H,11H2,1H3,(H2,25,29)(H,27,28)
InChIKeyAEUGCXPTQDNPOD-UHFFFAOYSA-N
MW468.00 g/mol
LogP5.78
Rot. Bonds6

About 2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide

2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide (PubChem CID 55571676) has the molecular formula C23H18ClN3O2S2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide
PubChem CID55571676
Molecular FormulaC23H18ClN3O2S2
Molecular Weight468.00 g/mol
Exact Mass467.05
IUPAC Name2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C23H18ClN3O2S2/c1-13-19(14-7-3-2-4-8-14)20(21(25)29)23(31-13)27-18(28)11-15-12-30-22(26-15)16-9-5-6-10-17(16)24/h2-10,12H,11H2,1H3,(H2,25,29)(H,27,28)
InChIKeyAEUGCXPTQDNPOD-UHFFFAOYSA-N
XLogP5.78
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.00
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 9399292
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
2-[4-(4-chlorophenyl)butanoylamino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55774775
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55571557
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55571886
N-(2-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119627873
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825809
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 43031352

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide (CID 55571676) is 2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide is Cc1sc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c(C(N)=O)c1-c1ccccc1.
What is the InChIKey of 2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide?
The InChIKey is AEUGCXPTQDNPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2S2/c1-13-19(14-7-3-2-4-8-14)20(21(25)29)23(31-13)27-18(28)11-15-12-30-22(26-15)16-9-5-6-10-17(16)24/h2-10,12H,11H2,1H3,(H2,25,29)(H,27,28).
What are the key properties of 2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide?
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide has a molecular weight of 468.00 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide is sourced from PubChem (CID 55571676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).