2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide

C25H26Cl2N4O3S — CID 4047151

IUPAC2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
SMILESCC(NC(=O)Cc1csc(NC(=O)CN(C(=O)c2ccc(Cl)cc2Cl)C(C)C)n1)c1ccccc1
InChIInChI=1S/C25H26Cl2N4O3S/c1-15(2)31(24(34)20-10-9-18(26)11-21(20)27)13-23(33)30-25-29-19(14-35-25)12-22(32)28-16(3)17-7-5-4-6-8-17/h4-11,14-16H,12-13H2,1-3H3,(H,28,32)(H,29,30,33)
InChIKeyOCTWEMHJZQQNOR-UHFFFAOYSA-N
MW533.48 g/mol
LogP5.36
Rot. Bonds9

About 2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide

2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide (PubChem CID 4047151) has the molecular formula C25H26Cl2N4O3S and a molecular weight of 533.48 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
PubChem CID4047151
Molecular FormulaC25H26Cl2N4O3S
Molecular Weight533.48 g/mol
Exact Mass532.11
IUPAC Name2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
SMILESCC(NC(=O)Cc1csc(NC(=O)CN(C(=O)c2ccc(Cl)cc2Cl)C(C)C)n1)c1ccccc1
InChIInChI=1S/C25H26Cl2N4O3S/c1-15(2)31(24(34)20-10-9-18(26)11-21(20)27)13-23(33)30-25-29-19(14-35-25)12-22(32)28-16(3)17-7-5-4-6-8-17/h4-11,14-16H,12-13H2,1-3H3,(H,28,32)(H,29,30,33)
InChIKeyOCTWEMHJZQQNOR-UHFFFAOYSA-N
XLogP5.36
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.48
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[2-[[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1029848
N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 3502903
2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1029867
2-[2-[[2-[(2-chlorobenzoyl)-propan-2-ylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7231958
4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 4140064
N-[2-[[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylbenzamide
CID 1029838
N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51185034
2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7361431
2-[2-[[2-[(2,4-dichlorobenzoyl)-(2-methoxyethyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 5193937
3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 1030145
N-[2-[[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methylpropyl)benzamide
CID 5056935
2-chloro-N-[2-[[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1029847

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide (CID 4047151) is 2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide is CC(NC(=O)Cc1csc(NC(=O)CN(C(=O)c2ccc(Cl)cc2Cl)C(C)C)n1)c1ccccc1.
What is the InChIKey of 2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide?
The InChIKey is OCTWEMHJZQQNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O3S/c1-15(2)31(24(34)20-10-9-18(26)11-21(20)27)13-23(33)30-25-29-19(14-35-25)12-22(32)28-16(3)17-7-5-4-6-8-17/h4-11,14-16H,12-13H2,1-3H3,(H,28,32)(H,29,30,33).
What are the key properties of 2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide?
2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide has a molecular weight of 533.48 g/mol, XLogP of 5.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 4047151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).