4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C28H27N3O2S — CID 43034291

IUPAC4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)NCCc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C28H27N3O2S/c1-21(32)29-18-16-23-12-14-25(15-13-23)27(33)31(19-17-22-8-4-2-5-9-22)28-30-26(20-34-28)24-10-6-3-7-11-24/h2-15,20H,16-19H2,1H3,(H,29,32)
InChIKeyKWRGGASLQMSNAI-UHFFFAOYSA-N
MW469.61 g/mol
LogP5.38
Rot. Bonds9

About 4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 43034291) has the molecular formula C28H27N3O2S and a molecular weight of 469.61 g/mol. Its IUPAC name is 4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID43034291
Molecular FormulaC28H27N3O2S
Molecular Weight469.61 g/mol
Exact Mass469.18
IUPAC Name4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)NCCc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C28H27N3O2S/c1-21(32)29-18-16-23-12-14-25(15-13-23)27(33)31(19-17-22-8-4-2-5-9-22)28-30-26(20-34-28)24-10-6-3-7-11-24/h2-15,20H,16-19H2,1H3,(H,29,32)
InChIKeyKWRGGASLQMSNAI-UHFFFAOYSA-N
XLogP5.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.61
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173513
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343361
2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 55371823
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
CID 22433301
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662
1-benzyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 31031236
N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9344065
N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861592
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid
CID 67146644

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 43034291) is 4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is CC(=O)NCCc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is KWRGGASLQMSNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2S/c1-21(32)29-18-16-23-12-14-25(15-13-23)27(33)31(19-17-22-8-4-2-5-9-22)28-30-26(20-34-28)24-10-6-3-7-11-24/h2-15,20H,16-19H2,1H3,(H,29,32).
What are the key properties of 4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 469.61 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 43034291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).