N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C21H20N4O3S — CID 9319832

IUPACN-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1nc2ccc(NC(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)cc2s1
InChIInChI=1S/C21H20N4O3S/c1-13-23-17-9-6-15(11-18(17)29-13)24-19(26)12-22-21(28)14-4-7-16(8-5-14)25-10-2-3-20(25)27/h4-9,11H,2-3,10,12H2,1H3,(H,22,28)(H,24,26)
InChIKeyREKUFKCZPXPOMC-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.10
Rot. Bonds5

About N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9319832) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9319832
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1nc2ccc(NC(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)cc2s1
InChIInChI=1S/C21H20N4O3S/c1-13-23-17-9-6-15(11-18(17)29-13)24-19(26)12-22-21(28)14-4-7-16(8-5-14)25-10-2-3-20(25)27/h4-9,11H,2-3,10,12H2,1H3,(H,22,28)(H,24,26)
InChIKeyREKUFKCZPXPOMC-UHFFFAOYSA-N
XLogP3.10
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide with MolForge

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Related Compounds

N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9210686
N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24535918
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26116653
N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide
CID 26313419
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51218960
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46584847
methyl 3-[2-[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]ethynyl]benzoate
CID 30712549
N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27783131
N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38824667
butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate
CID 35144060

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 9319832) is N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1nc2ccc(NC(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)cc2s1.
What is the InChIKey of N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is REKUFKCZPXPOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-13-23-17-9-6-15(11-18(17)29-13)24-19(26)12-22-21(28)14-4-7-16(8-5-14)25-10-2-3-20(25)27/h4-9,11H,2-3,10,12H2,1H3,(H,22,28)(H,24,26).
What are the key properties of N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 408.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9319832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).