N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide

C19H25F2N3O6S2 — CID 10141375

IUPACN-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOCCC(O)C(O)C(Cc1cc(F)cc(F)c1)NC(=O)c1csc(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C19H25F2N3O6S2/c1-24(32(3,28)29)19-23-15(10-31-19)18(27)22-14(17(26)16(25)4-5-30-2)8-11-6-12(20)9-13(21)7-11/h6-7,9-10,14,16-17,25-26H,4-5,8H2,1-3H3,(H,22,27)
InChIKeyCDVYFVDJKGUVBE-UHFFFAOYSA-N
MW493.55 g/mol
LogP0.92
Rot. Bonds11

About N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide

N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 10141375) has the molecular formula C19H25F2N3O6S2 and a molecular weight of 493.55 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID10141375
Molecular FormulaC19H25F2N3O6S2
Molecular Weight493.55 g/mol
Exact Mass493.12
IUPAC NameN-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOCCC(O)C(O)C(Cc1cc(F)cc(F)c1)NC(=O)c1csc(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C19H25F2N3O6S2/c1-24(32(3,28)29)19-23-15(10-31-19)18(27)22-14(17(26)16(25)4-5-30-2)8-11-6-12(20)9-13(21)7-11/h6-7,9-10,14,16-17,25-26H,4-5,8H2,1-3H3,(H,22,27)
InChIKeyCDVYFVDJKGUVBE-UHFFFAOYSA-N
XLogP0.92
TPSA129.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-benzamido-1-(3,5-difluorophenyl)-3,4-dihydroxy-7-methoxyheptan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide
CID 22051407
N-[(2S,3R,4R)-1-(3,5-difluorophenyl)-3,4-dihydroxy-6-(2-methylpropylamino)-6-oxohexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide
CID 10143904
N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-5-methoxypentan-2-yl]-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide
CID 10161981
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-acetamido-6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide
CID 10118313
N-[5-acetamido-1-(3,5-difluorophenyl)-3,4-dihydroxynonan-2-yl]-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide
CID 22051402
N-[(2S,3R,4R,5R)-5-(benzylcarbamoyl)-3,4-dihydroxy-6-methyl-1-phenylhept-6-en-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide
CID 147138282
N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methyl-5-(2-methylpropylcarbamoyl)heptan-2-yl]-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide
CID 23577905
N-[(2S,3R,4R,5R)-5-benzamido-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide
CID 10209992
2-[methyl(methylsulfonyl)amino]-N-(1,2,3,4-tetrahydroxy-5-methoxypentan-2-yl)-1,3-thiazole-4-carboxamide
CID 90958503
N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methylsulfanylhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
CID 10299404
N-[7-(benzylcarbamoyl)-5,6-dihydroxy-2,8-dimethylnonan-4-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide
CID 22136645

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide (CID 10141375) is N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide is COCCC(O)C(O)C(Cc1cc(F)cc(F)c1)NC(=O)c1csc(N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is CDVYFVDJKGUVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O6S2/c1-24(32(3,28)29)19-23-15(10-31-19)18(27)22-14(17(26)16(25)4-5-30-2)8-11-6-12(20)9-13(21)7-11/h6-7,9-10,14,16-17,25-26H,4-5,8H2,1-3H3,(H,22,27).
What are the key properties of N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide?
N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 493.55 g/mol, XLogP of 0.92, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10141375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).