N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C26H22N4O3S — CID 43036524

IUPACN-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C26H22N4O3S/c31-23(15-27-25(33)18-9-11-21(12-10-18)30-13-3-6-24(30)32)29-26-28-22(16-34-26)20-8-7-17-4-1-2-5-19(17)14-20/h1-2,4-5,7-12,14,16H,3,6,13,15H2,(H,27,33)(H,28,29,31)
InChIKeyPBNLTEQVSDXKCH-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.46
Rot. Bonds6

About N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 43036524) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID43036524
Molecular FormulaC26H22N4O3S
Molecular Weight470.55 g/mol
Exact Mass470.14
IUPAC NameN-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C26H22N4O3S/c31-23(15-27-25(33)18-9-11-21(12-10-18)30-13-3-6-24(30)32)29-26-28-22(16-34-26)20-8-7-17-4-1-2-5-19(17)14-20/h1-2,4-5,7-12,14,16H,3,6,13,15H2,(H,27,33)(H,28,29,31)
InChIKeyPBNLTEQVSDXKCH-UHFFFAOYSA-N
XLogP4.46
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60581699
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24637861
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
CID 18089660
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 41164403
N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24535918
N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27783131
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 46628962
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 43036524) is N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is PBNLTEQVSDXKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S/c31-23(15-27-25(33)18-9-11-21(12-10-18)30-13-3-6-24(30)32)29-26-28-22(16-34-26)20-8-7-17-4-1-2-5-19(17)14-20/h1-2,4-5,7-12,14,16H,3,6,13,15H2,(H,27,33)(H,28,29,31).
What are the key properties of N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 470.55 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 43036524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).