N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide

C18H22N4O6S — CID 22394836

IUPACN-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)Nc1nc(C(=O)NC(Cc2ccccc2)C(O)C(O)CCC#N)co1
InChIInChI=1S/C18H22N4O6S/c1-29(26,27)22-18-21-14(11-28-18)17(25)20-13(10-12-6-3-2-4-7-12)16(24)15(23)8-5-9-19/h2-4,6-7,11,13,15-16,23-24H,5,8,10H2,1H3,(H,20,25)(H,21,22)
InChIKeyHKKIFOBUMFFRCB-UHFFFAOYSA-N
MW422.46 g/mol
LogP0.41
Rot. Bonds10

About N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide

N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide (PubChem CID 22394836) has the molecular formula C18H22N4O6S and a molecular weight of 422.46 g/mol. Its IUPAC name is N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
PubChem CID22394836
Molecular FormulaC18H22N4O6S
Molecular Weight422.46 g/mol
Exact Mass422.13
IUPAC NameN-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)Nc1nc(C(=O)NC(Cc2ccccc2)C(O)C(O)CCC#N)co1
InChIInChI=1S/C18H22N4O6S/c1-29(26,27)22-18-21-14(11-28-18)17(25)20-13(10-12-6-3-2-4-7-12)16(24)15(23)8-5-9-19/h2-4,6-7,11,13,15-16,23-24H,5,8,10H2,1H3,(H,20,25)(H,21,22)
InChIKeyHKKIFOBUMFFRCB-UHFFFAOYSA-N
XLogP0.41
TPSA165.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
CID 22394889
N-[(2S,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-(2-methylpropylcarbamoyl)-1-phenylheptan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
CID 58635634
N-(3,4-dihydroxy-1-phenylnon-8-yn-2-yl)-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide
CID 22394890
N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methylsulfanylhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
CID 10299404
N-[6-(benzylamino)-1-(3,5-difluorophenyl)-3,4-dihydroxy-5-methyl-6-oxohexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
CID 22136638
N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide
CID 10162364
N-[(2S,3R,4R,5R)-5-(benzylcarbamoyl)-1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methylheptan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
CID 10145246
N-(3,4-dihydroxy-6-methylsulfanyl-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide
CID 22394807
propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate
CID 142195417
N-[(2S,3R,4R,5R)-5-acetamido-6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide
CID 10118313
N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(ethylsulfonylamino)-1,3-oxazole-4-carboxamide
CID 69413993
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(ethylsulfonylamino)-1,3-oxazole-4-carboxamide
CID 21086576

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide (CID 22394836) is N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide is CS(=O)(=O)Nc1nc(C(=O)NC(Cc2ccccc2)C(O)C(O)CCC#N)co1.
What is the InChIKey of N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
The InChIKey is HKKIFOBUMFFRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6S/c1-29(26,27)22-18-21-14(11-28-18)17(25)20-13(10-12-6-3-2-4-7-12)16(24)15(23)8-5-9-19/h2-4,6-7,11,13,15-16,23-24H,5,8,10H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 0.41, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 22394836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).