N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide

C24H19N3O2S — CID 9327000

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1N1CCCC1=O
InChIInChI=1S/C24H19N3O2S/c28-22-13-6-14-27(22)20-11-3-1-9-18(20)23(29)25-17-8-5-7-16(15-17)24-26-19-10-2-4-12-21(19)30-24/h1-5,7-12,15H,6,13-14H2,(H,25,29)
InChIKeyLIMUTALVPTUHBN-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.34
Rot. Bonds4

About N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9327000) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9327000
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1N1CCCC1=O
InChIInChI=1S/C24H19N3O2S/c28-22-13-6-14-27(22)20-11-3-1-9-18(20)23(29)25-17-8-5-7-16(15-17)24-26-19-10-2-4-12-21(19)30-24/h1-5,7-12,15H,6,13-14H2,(H,25,29)
InChIKeyLIMUTALVPTUHBN-UHFFFAOYSA-N
XLogP5.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34289832
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5067994
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8927459
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8927653
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-tert-butylbenzamide
CID 2303166
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8541293
4-(azepan-1-ylsulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 5008940
3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 34290939
N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 16955882
N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9139011
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
N-[2-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35743676

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide (CID 9327000) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1N1CCCC1=O.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LIMUTALVPTUHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c28-22-13-6-14-27(22)20-11-3-1-9-18(20)23(29)25-17-8-5-7-16(15-17)24-26-19-10-2-4-12-21(19)30-24/h1-5,7-12,15H,6,13-14H2,(H,25,29).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 413.50 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9327000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).