2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide

C22H21Cl2N3O2S — CID 55788954

IUPAC2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)C(C)NC(=O)c3cccc(Cl)c3Cl)cc2)cs1
InChIInChI=1S/C22H21Cl2N3O2S/c1-13(26-22(29)17-4-3-5-18(23)20(17)24)21(28)25-11-10-15-6-8-16(9-7-15)19-12-30-14(2)27-19/h3-9,12-13H,10-11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyXVVBJOCSERJETQ-UHFFFAOYSA-N
MW462.40 g/mol
LogP4.90
Rot. Bonds7

About 2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 55788954) has the molecular formula C22H21Cl2N3O2S and a molecular weight of 462.40 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide
PubChem CID55788954
Molecular FormulaC22H21Cl2N3O2S
Molecular Weight462.40 g/mol
Exact Mass461.07
IUPAC Name2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)C(C)NC(=O)c3cccc(Cl)c3Cl)cc2)cs1
InChIInChI=1S/C22H21Cl2N3O2S/c1-13(26-22(29)17-4-3-5-18(23)20(17)24)21(28)25-11-10-15-6-8-16(9-7-15)19-12-30-14(2)27-19/h3-9,12-13H,10-11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyXVVBJOCSERJETQ-UHFFFAOYSA-N
XLogP4.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 25401259
2,4-dichloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 108725447
2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 16568221
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
2-(4-methoxyphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 46509267
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide
CID 134048772
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434413
2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 46532724
3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide
CID 55434101
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-nitrobenzamide
CID 16960634
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide (CID 55788954) is 2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide is Cc1nc(-c2ccc(CCNC(=O)C(C)NC(=O)c3cccc(Cl)c3Cl)cc2)cs1.
What is the InChIKey of 2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is XVVBJOCSERJETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O2S/c1-13(26-22(29)17-4-3-5-18(23)20(17)24)21(28)25-11-10-15-6-8-16(9-7-15)19-12-30-14(2)27-19/h3-9,12-13H,10-11H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 462.40 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55788954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).