N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide

C21H19ClN4O3S — CID 108762417

IUPACN-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H19ClN4O3S/c1-13(27)23-10-14-2-4-15(5-3-14)18-12-30-21(25-18)26-19(28)11-24-20(29)16-6-8-17(22)9-7-16/h2-9,12H,10-11H2,1H3,(H,23,27)(H,24,29)(H,25,26,28)
InChIKeyQDYLXKXXWXOTDF-UHFFFAOYSA-N
MW442.93 g/mol
LogP3.47
Rot. Bonds7

About N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide

N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide (PubChem CID 108762417) has the molecular formula C21H19ClN4O3S and a molecular weight of 442.93 g/mol. Its IUPAC name is N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
PubChem CID108762417
Molecular FormulaC21H19ClN4O3S
Molecular Weight442.93 g/mol
Exact Mass442.09
IUPAC NameN-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H19ClN4O3S/c1-13(27)23-10-14-2-4-15(5-3-14)18-12-30-21(25-18)26-19(28)11-24-20(29)16-6-8-17(22)9-7-16/h2-9,12H,10-11H2,1H3,(H,23,27)(H,24,29)(H,25,26,28)
InChIKeyQDYLXKXXWXOTDF-UHFFFAOYSA-N
XLogP3.47
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24597218
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(4-chlorophenoxy)butanamide
CID 108762469
1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
CID 121080343
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
[4-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108739741
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide
CID 108739753
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 24597214
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide (CID 108762417) is N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide?
The InChIKey is QDYLXKXXWXOTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S/c1-13(27)23-10-14-2-4-15(5-3-14)18-12-30-21(25-18)26-19(28)11-24-20(29)16-6-8-17(22)9-7-16/h2-9,12H,10-11H2,1H3,(H,23,27)(H,24,29)(H,25,26,28).
What are the key properties of N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide?
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide has a molecular weight of 442.93 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide is sourced from PubChem (CID 108762417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).