3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide

C21H26Cl2N4O3S — CID 42778999

IUPAC3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
SMILESCCCNC(=O)Cc1csc(NC(=O)CN(CC(C)C)C(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C21H26Cl2N4O3S/c1-4-7-24-18(28)9-15-12-31-21(25-15)26-19(29)11-27(10-13(2)3)20(30)14-5-6-16(22)17(23)8-14/h5-6,8,12-13H,4,7,9-11H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeySRSPWMPTGORCPI-UHFFFAOYSA-N
MW485.44 g/mol
LogP4.26
Rot. Bonds10

About 3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide

3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide (PubChem CID 42778999) has the molecular formula C21H26Cl2N4O3S and a molecular weight of 485.44 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
PubChem CID42778999
Molecular FormulaC21H26Cl2N4O3S
Molecular Weight485.44 g/mol
Exact Mass484.11
IUPAC Name3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
SMILESCCCNC(=O)Cc1csc(NC(=O)CN(CC(C)C)C(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C21H26Cl2N4O3S/c1-4-7-24-18(28)9-15-12-31-21(25-15)26-19(29)11-27(10-13(2)3)20(30)14-5-6-16(22)17(23)8-14/h5-6,8,12-13H,4,7,9-11H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeySRSPWMPTGORCPI-UHFFFAOYSA-N
XLogP4.26
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3,4-dichloro-N-(2-methylpropyl)benzamide
CID 4318791
3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 5206289
3,4-dichloro-N-[2-[[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1030139
3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 42779099
3,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 3355515
4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 5240773
2-[2-[[2-[(4-fluorobenzoyl)-(2-methylpropyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 4690946
3,4-dichloro-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1030128
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-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 1030341
3,4-dichloro-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1030114
N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 4129925

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide (CID 42778999) is 3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide is CCCNC(=O)Cc1csc(NC(=O)CN(CC(C)C)C(=O)c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The InChIKey is SRSPWMPTGORCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4O3S/c1-4-7-24-18(28)9-15-12-31-21(25-15)26-19(29)11-27(10-13(2)3)20(30)14-5-6-16(22)17(23)8-14/h5-6,8,12-13H,4,7,9-11H2,1-3H3,(H,24,28)(H,25,26,29).
What are the key properties of 3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide has a molecular weight of 485.44 g/mol, XLogP of 4.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 42778999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).