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

C21H21N3O2S — CID 46452312

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(c1nc2ccccc2s1)N(C)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H21N3O2S/c1-14(20-22-17-6-3-4-7-18(17)27-20)23(2)21(26)15-9-11-16(12-10-15)24-13-5-8-19(24)25/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3
InChIKeyGNKVPLYSNOADDB-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.26
Rot. Bonds4

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

N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 46452312) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID46452312
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(c1nc2ccccc2s1)N(C)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H21N3O2S/c1-14(20-22-17-6-3-4-7-18(17)27-20)23(2)21(26)15-9-11-16(12-10-15)24-13-5-8-19(24)25/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3
InChIKeyGNKVPLYSNOADDB-UHFFFAOYSA-N
XLogP4.26
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide
CID 51188170
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9469630
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
CID 39965479
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylnaphthalene-2-carboxamide
CID 8820294
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39549874
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3,4-dichloro-N-methylbenzamide
CID 8820373
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-N-methylpyridine-3-carboxamide
CID 9406160
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 46452295
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 39550058
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 17441541
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471079
ethyl N-[4-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylcarbamoyl]phenyl]carbamate
CID 9469564

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide (CID 46452312) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide is CC(c1nc2ccccc2s1)N(C)C(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is GNKVPLYSNOADDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14(20-22-17-6-3-4-7-18(17)27-20)23(2)21(26)15-9-11-16(12-10-15)24-13-5-8-19(24)25/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3.
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 379.49 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 46452312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).