N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

C16H14N4O5S2 — CID 52907985

IUPACN-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)c2coc(NC(=O)c3cccs3)n2)c1
InChIInChI=1S/C16H14N4O5S2/c1-27(23,24)20-11-5-2-4-10(8-11)17-14(21)12-9-25-16(18-12)19-15(22)13-6-3-7-26-13/h2-9,20H,1H3,(H,17,21)(H,18,19,22)
InChIKeyBMMBAVSDYPWPKQ-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.61
Rot. Bonds6

About N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 52907985) has the molecular formula C16H14N4O5S2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID52907985
Molecular FormulaC16H14N4O5S2
Molecular Weight406.45 g/mol
Exact Mass406.04
IUPAC NameN-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)c2coc(NC(=O)c3cccs3)n2)c1
InChIInChI=1S/C16H14N4O5S2/c1-27(23,24)20-11-5-2-4-10(8-11)17-14(21)12-9-25-16(18-12)19-15(22)13-6-3-7-26-13/h2-9,20H,1H3,(H,17,21)(H,18,19,22)
InChIKeyBMMBAVSDYPWPKQ-UHFFFAOYSA-N
XLogP2.61
TPSA130.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515476
N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515407
N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515403
N-(2,5-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515404
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515460
N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907968
6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide
CID 46513513
N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide
CID 39204506
N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1232080
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
N-(3-acetylphenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907935

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 52907985) is N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is CS(=O)(=O)Nc1cccc(NC(=O)c2coc(NC(=O)c3cccs3)n2)c1.
What is the InChIKey of N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is BMMBAVSDYPWPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5S2/c1-27(23,24)20-11-5-2-4-10(8-11)17-14(21)12-9-25-16(18-12)19-15(22)13-6-3-7-26-13/h2-9,20H,1H3,(H,17,21)(H,18,19,22).
What are the key properties of N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52907985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).