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

C17H18ClN3O5S2 — CID 57496659

IUPAC5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C17H18ClN3O5S2/c1-20(2)28(24,25)13-5-3-11(4-6-13)21-10-12(26-17(21)23)9-19-16(22)14-7-8-15(18)27-14/h3-8,12H,9-10H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyAGHXCYDCAOWVPM-LBPRGKRZSA-N
MW443.93 g/mol
LogP2.41
Rot. Bonds6

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

5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 57496659) has the molecular formula C17H18ClN3O5S2 and a molecular weight of 443.93 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID57496659
Molecular FormulaC17H18ClN3O5S2
Molecular Weight443.93 g/mol
Exact Mass443.04
IUPAC Name5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C17H18ClN3O5S2/c1-20(2)28(24,25)13-5-3-11(4-6-13)21-10-12(26-17(21)23)9-19-16(22)14-7-8-15(18)27-14/h3-8,12H,9-10H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyAGHXCYDCAOWVPM-LBPRGKRZSA-N
XLogP2.41
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10158209
5-chloro-N-[[2-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 139958675
5-chloro-N-[[3-[4-(methoxyamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 142207900
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-chloro-N-[[3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 72539282
5-chloro-N-[[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58618158
N-[[3-[4-[(carbamoylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 21070785
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-[[3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 74930687
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
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)-3-[4-(dibutylcarbamoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 71626912

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 57496659) is 5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CN(C)S(=O)(=O)c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1.
What is the InChIKey of 5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is AGHXCYDCAOWVPM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClN3O5S2/c1-20(2)28(24,25)13-5-3-11(4-6-13)21-10-12(26-17(21)23)9-19-16(22)14-7-8-15(18)27-14/h3-8,12H,9-10H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of 5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 57496659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).