N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide

C18H19N3O5S — CID 148860038

IUPACN-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC[C@H]2CN(c3ccc(NC(=O)CO)cc3)C(=O)O2)s1
InChIInChI=1S/C18H19N3O5S/c1-11-2-7-15(27-11)17(24)19-8-14-9-21(18(25)26-14)13-5-3-12(4-6-13)20-16(23)10-22/h2-7,14,22H,8-10H2,1H3,(H,19,24)(H,20,23)/t14-/m0/s1
InChIKeyOZDHTNDEOLAQAW-AWEZNQCLSA-N
MW389.43 g/mol
LogP1.74
Rot. Bonds6

About N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide

N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 148860038) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID148860038
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC[C@H]2CN(c3ccc(NC(=O)CO)cc3)C(=O)O2)s1
InChIInChI=1S/C18H19N3O5S/c1-11-2-7-15(27-11)17(24)19-8-14-9-21(18(25)26-14)13-5-3-12(4-6-13)20-16(23)10-22/h2-7,14,22H,8-10H2,1H3,(H,19,24)(H,20,23)/t14-/m0/s1
InChIKeyOZDHTNDEOLAQAW-AWEZNQCLSA-N
XLogP1.74
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070752
5-chloro-N-[[3-[4-(methoxyamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 142207900
5-chloro-N-[[3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 72539282
5-bromo-N-[[(5S)-2-oxo-3-[4-(propylamino)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 59411203
CID 91139021
CID 91139021
5-chloro-N-[[(5S)-3-[4-(dibutylcarbamoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 71626912
N-[[(5S)-3-[4-[(2Z)-2-(1-aminoethylidene)hydrazinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 172932964
5-chloro-N-[[(5S)-3-[4-[3-(methylamino)propylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 59411228
5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10158209
5-bromo-N-[[(5S)-3-(4-isocyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 59411212
5-chloro-N-[[3-[4-(1,3-dimethyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 74930689

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide (CID 148860038) is N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(NC(=O)CO)cc3)C(=O)O2)s1.
What is the InChIKey of N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is OZDHTNDEOLAQAW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-11-2-7-15(27-11)17(24)19-8-14-9-21(18(25)26-14)13-5-3-12(4-6-13)20-16(23)10-22/h2-7,14,22H,8-10H2,1H3,(H,19,24)(H,20,23)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide?
N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 148860038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).