5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C20H21N3O4S — CID 118129384

IUPAC5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC2CC(=O)N(c3ccc(N4CCCC4=O)cc3)O2)s1
InChIInChI=1S/C20H21N3O4S/c1-13-4-9-17(28-13)20(26)21-12-16-11-19(25)23(27-16)15-7-5-14(6-8-15)22-10-2-3-18(22)24/h4-9,16H,2-3,10-12H2,1H3,(H,21,26)
InChIKeyFCRWMDIGDDENQL-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.65
Rot. Bonds5

About 5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 118129384) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID118129384
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC2CC(=O)N(c3ccc(N4CCCC4=O)cc3)O2)s1
InChIInChI=1S/C20H21N3O4S/c1-13-4-9-17(28-13)20(26)21-12-16-11-19(25)23(27-16)15-7-5-14(6-8-15)22-10-2-3-18(22)24/h4-9,16H,2-3,10-12H2,1H3,(H,21,26)
InChIKeyFCRWMDIGDDENQL-UHFFFAOYSA-N
XLogP2.65
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58777746
5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10202260
5-bromo-N-[[(5S)-2-oxo-3-[4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58777736
N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide
CID 148860038
5-chloro-N-[[(3S)-5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 70307360
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38449215
5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 142196950
2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide
CID 39997103
(E)-3-(5-methylthiophen-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 8589449
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 125180018
N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 24676971
5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10158209

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 118129384) is 5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC2CC(=O)N(c3ccc(N4CCCC4=O)cc3)O2)s1.
What is the InChIKey of 5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is FCRWMDIGDDENQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13-4-9-17(28-13)20(26)21-12-16-11-19(25)23(27-16)15-7-5-14(6-8-15)22-10-2-3-18(22)24/h4-9,16H,2-3,10-12H2,1H3,(H,21,26).
What are the key properties of 5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[3-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118129384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).