2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide

C22H20N4O3S — CID 55413439

IUPAC2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C22H20N4O3S/c1-2-12-23-21(29)17-10-6-7-11-18(17)25-19(27)13-16-14-30-22(24-16)26-20(28)15-8-4-3-5-9-15/h2-11,14H,1,12-13H2,(H,23,29)(H,25,27)(H,24,26,28)
InChIKeyHTPKEOPNSTZWJR-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.49
Rot. Bonds8

About 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide

2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide (PubChem CID 55413439) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide
PubChem CID55413439
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C22H20N4O3S/c1-2-12-23-21(29)17-10-6-7-11-18(17)25-19(27)13-16-14-30-22(24-16)26-20(28)15-8-4-3-5-9-15/h2-11,14H,1,12-13H2,(H,23,29)(H,25,27)(H,24,26,28)
InChIKeyHTPKEOPNSTZWJR-UHFFFAOYSA-N
XLogP3.49
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567903
3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
CID 46461718
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 30275534
N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881715
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55807846
N-[4-[2-[2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 34755088
4-chloro-N-[4-[2-oxo-2-(2-phenylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41213333
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 18282128

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide (CID 55413439) is 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1.
What is the InChIKey of 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is HTPKEOPNSTZWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-2-12-23-21(29)17-10-6-7-11-18(17)25-19(27)13-16-14-30-22(24-16)26-20(28)15-8-4-3-5-9-15/h2-11,14H,1,12-13H2,(H,23,29)(H,25,27)(H,24,26,28).
What are the key properties of 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide?
2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 420.49 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 55413439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).