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

C17H18ClN3O3S — CID 11523750

IUPAC5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C17H18ClN3O3S/c1-20(2)11-3-5-12(6-4-11)21-10-13(24-17(21)23)9-19-16(22)14-7-8-15(18)25-14/h3-8,13H,9-10H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeySDPNOIGDWTUQEV-ZDUSSCGKSA-N
MW379.87 g/mol
LogP3.22
Rot. Bonds5

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

5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 11523750) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID11523750
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C17H18ClN3O3S/c1-20(2)11-3-5-12(6-4-11)21-10-13(24-17(21)23)9-19-16(22)14-7-8-15(18)25-14/h3-8,13H,9-10H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeySDPNOIGDWTUQEV-ZDUSSCGKSA-N
XLogP3.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Rivaroxaban
CID 9875401
Rivaroxaban, Xarelto, BAY 59-7939
CID 6433119
5-Chloro-N-({(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)-phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide
CID 11525292
5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-((2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl)-methyl)-4-hydroxy-pyrrolidin-3-yl)-amide
CID 11979006
5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42628060
5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-4-fluoro-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-YL)-phenylcarbamoyl]-methyl}-pyrrolidin-3-YL)-amide
CID 42628063
5-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide
CID 11562451
N-({(5S)-3-[3-Amino-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)-5-chlorothiophene-2-carboxamide
CID 11583256
5-Chloro-N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}thiophene-2-carboxamide
CID 10138114
5-Chloro-N-{[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}thiophene-2-carboxamide
CID 10161422
5-Chloro-N-methyl-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide
CID 11518043
Rivaroxaban, (R)-
CID 11524901

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 11523750) is 5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CN(C)c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1.
What is the InChIKey of 5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is SDPNOIGDWTUQEV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-20(2)11-3-5-12(6-4-11)21-10-13(24-17(21)23)9-19-16(22)14-7-8-15(18)25-14/h3-8,13H,9-10H2,1-2H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 379.87 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(5S)-3-[4-(dimethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 11523750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).