N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C18H18BrN3O3S — CID 55867778

IUPACN-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1cc(Br)cs1
InChIInChI=1S/C18H18BrN3O3S/c19-13-8-15(26-11-13)9-20-16(23)10-21-18(25)12-3-5-14(6-4-12)22-7-1-2-17(22)24/h3-6,8,11H,1-2,7,9-10H2,(H,20,23)(H,21,25)
InChIKeyNJOUKFPTMJZFCD-UHFFFAOYSA-N
MW436.33 g/mol
LogP2.68
Rot. Bonds6

About N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 55867778) has the molecular formula C18H18BrN3O3S and a molecular weight of 436.33 g/mol. Its IUPAC name is N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID55867778
Molecular FormulaC18H18BrN3O3S
Molecular Weight436.33 g/mol
Exact Mass435.03
IUPAC NameN-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1cc(Br)cs1
InChIInChI=1S/C18H18BrN3O3S/c19-13-8-15(26-11-13)9-20-16(23)10-21-18(25)12-3-5-14(6-4-12)22-7-1-2-17(22)24/h3-6,8,11H,1-2,7,9-10H2,(H,20,23)(H,21,25)
InChIKeyNJOUKFPTMJZFCD-UHFFFAOYSA-N
XLogP2.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
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CID 38295305
N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43043526
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432
5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide
CID 27171752
N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 75512178
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24595498
N-[2-[2-(4-bromo-1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24552630
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
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 55867778) is N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1cc(Br)cs1.
What is the InChIKey of N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is NJOUKFPTMJZFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3S/c19-13-8-15(26-11-13)9-20-16(23)10-21-18(25)12-3-5-14(6-4-12)22-7-1-2-17(22)24/h3-6,8,11H,1-2,7,9-10H2,(H,20,23)(H,21,25).
What are the key properties of N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 436.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55867778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).