5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C19H18ClN3O5S — CID 58777751

IUPAC5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCC1Oc2cc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)ccc2N(C)C1=O
InChIInChI=1S/C19H18ClN3O5S/c1-10-18(25)22(2)13-4-3-11(7-14(13)27-10)23-9-12(28-19(23)26)8-21-17(24)15-5-6-16(20)29-15/h3-7,10,12H,8-9H2,1-2H3,(H,21,24)/t10?,12-/m0/s1
InChIKeyKJHJENBNBAVKDZ-KFJBMODSSA-N
MW435.89 g/mol
LogP2.90
Rot. Bonds4

About 5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 58777751) has the molecular formula C19H18ClN3O5S and a molecular weight of 435.89 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID58777751
Molecular FormulaC19H18ClN3O5S
Molecular Weight435.89 g/mol
Exact Mass435.07
IUPAC Name5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCC1Oc2cc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)ccc2N(C)C1=O
InChIInChI=1S/C19H18ClN3O5S/c1-10-18(25)22(2)13-4-3-11(7-14(13)27-10)23-9-12(28-19(23)26)8-21-17(24)15-5-6-16(20)29-15/h3-7,10,12H,8-9H2,1-2H3,(H,21,24)/t10?,12-/m0/s1
InChIKeyKJHJENBNBAVKDZ-KFJBMODSSA-N
XLogP2.90
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 58777751) is 5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CC1Oc2cc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)ccc2N(C)C1=O.
What is the InChIKey of 5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is KJHJENBNBAVKDZ-KFJBMODSSA-N. The full InChI is InChI=1S/C19H18ClN3O5S/c1-10-18(25)22(2)13-4-3-11(7-14(13)27-10)23-9-12(28-19(23)26)8-21-17(24)15-5-6-16(20)29-15/h3-7,10,12H,8-9H2,1-2H3,(H,21,24)/t10?,12-/m0/s1.
What are the key properties of 5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 435.89 g/mol, XLogP of 2.90, 4 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-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 58777751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).