N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide

C19H18N4O5S — CID 165157711

IUPACN-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc3ccc(N(C)C(=O)C4COC(=O)N4)nc32)cc1
InChIInChI=1S/C19H18N4O5S/c1-12-3-6-14(7-4-12)29(26,27)23-10-9-13-5-8-16(21-17(13)23)22(2)18(24)15-11-28-19(25)20-15/h3-10,15H,11H2,1-2H3,(H,20,25)
InChIKeyZDMXQYGVXQOCMN-UHFFFAOYSA-N
MW414.44 g/mol
LogP1.65
Rot. Bonds4

About N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide

N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 165157711) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID165157711
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC NameN-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc3ccc(N(C)C(=O)C4COC(=O)N4)nc32)cc1
InChIInChI=1S/C19H18N4O5S/c1-12-3-6-14(7-4-12)29(26,27)23-10-9-13-5-8-16(21-17(13)23)22(2)18(24)15-11-28-19(25)20-15/h3-10,15H,11H2,1-2H3,(H,20,25)
InChIKeyZDMXQYGVXQOCMN-UHFFFAOYSA-N
XLogP1.65
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-[[3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-methylcarbamoyl]-2-oxoimidazolidine-1-carboxylate
CID 175249856
(4aS,7S,7aS)-7-hydroxy-5-(4-methylphenyl)sulfonyl-1,4,4a,6,7,7a-hexahydropyrrolo[3,2-d][1,3]oxazin-2-one
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CID 140627439
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 165157711) is N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide is Cc1ccc(S(=O)(=O)n2ccc3ccc(N(C)C(=O)C4COC(=O)N4)nc32)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is ZDMXQYGVXQOCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c1-12-3-6-14(7-4-12)29(26,27)23-10-9-13-5-8-16(21-17(13)23)22(2)18(24)15-11-28-19(25)20-15/h3-10,15H,11H2,1-2H3,(H,20,25).
What are the key properties of N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 165157711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).