2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide

C24H21N3O3S — CID 46635996

IUPAC2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccco2)n1)c1ccccc1
InChIInChI=1S/C24H21N3O3S/c1-16(17-8-3-2-4-9-17)25-23(29)19-10-5-6-11-20(19)27-22(28)14-18-15-31-24(26-18)21-12-7-13-30-21/h2-13,15-16H,14H2,1H3,(H,25,29)(H,27,28)
InChIKeyOGZCHAYXKICHQW-UHFFFAOYSA-N
MW431.52 g/mol
LogP5.08
Rot. Bonds7

About 2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide

2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 46635996) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID46635996
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccco2)n1)c1ccccc1
InChIInChI=1S/C24H21N3O3S/c1-16(17-8-3-2-4-9-17)25-23(29)19-10-5-6-11-20(19)27-22(28)14-18-15-31-24(26-18)21-12-7-13-30-21/h2-13,15-16H,14H2,1H3,(H,25,29)(H,27,28)
InChIKeyOGZCHAYXKICHQW-UHFFFAOYSA-N
XLogP5.08
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 34324340
2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16595013
N-cyclopentyl-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 24664133
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 38636231
N-[2,4-di(propan-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46436542
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55542121
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide
CID 51886493
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40881647
2-[[2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 41048500

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 46635996) is 2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccco2)n1)c1ccccc1.
What is the InChIKey of 2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is OGZCHAYXKICHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-16(17-8-3-2-4-9-17)25-23(29)19-10-5-6-11-20(19)27-22(28)14-18-15-31-24(26-18)21-12-7-13-30-21/h2-13,15-16H,14H2,1H3,(H,25,29)(H,27,28).
What are the key properties of 2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide?
2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 431.52 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 46635996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).