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

C28H28N2OS — CID 3173513

IUPAC4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C28H28N2OS/c1-28(2,3)24-16-14-23(15-17-24)26(31)30(19-18-21-10-6-4-7-11-21)27-29-25(20-32-27)22-12-8-5-9-13-22/h4-17,20H,18-19H2,1-3H3
InChIKeyWHYFOPIOXGYXHP-UHFFFAOYSA-N
MW440.61 g/mol
LogP7.00
Rot. Bonds6

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

4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 3173513) has the molecular formula C28H28N2OS and a molecular weight of 440.61 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID3173513
Molecular FormulaC28H28N2OS
Molecular Weight440.61 g/mol
Exact Mass440.19
IUPAC Name4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C28H28N2OS/c1-28(2,3)24-16-14-23(15-17-24)26(31)30(19-18-21-10-6-4-7-11-21)27-29-25(20-32-27)22-12-8-5-9-13-22/h4-17,20H,18-19H2,1-3H3
InChIKeyWHYFOPIOXGYXHP-UHFFFAOYSA-N
XLogP7.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.61
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
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4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 43034291
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide
CID 22433145
4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
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2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 55371823
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-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
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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-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide
CID 1176073
1-N,3-N-bis(3-aminopropyl)-1-N,3-N-bis(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 66727925

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 3173513) is 4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is CC(C)(C)c1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is WHYFOPIOXGYXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2OS/c1-28(2,3)24-16-14-23(15-17-24)26(31)30(19-18-21-10-6-4-7-11-21)27-29-25(20-32-27)22-12-8-5-9-13-22/h4-17,20H,18-19H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 440.61 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3173513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).