3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide

C21H24N4O4S — CID 118470402

IUPAC3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1cc(-c2cc(-c3cc(S(=O)(=O)N[C@H]4CCC[C@@H]4O)ccc3C)cnc2N)on1
InChIInChI=1S/C21H24N4O4S/c1-12-6-7-15(30(27,28)25-18-4-3-5-19(18)26)10-16(12)14-9-17(21(22)23-11-14)20-8-13(2)24-29-20/h6-11,18-19,25-26H,3-5H2,1-2H3,(H2,22,23)/t18-,19-/m0/s1
InChIKeyWNFRNSMPYGJUNB-OALUTQOASA-N
MW428.51 g/mol
LogP2.79
Rot. Bonds5

About 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide

3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide (PubChem CID 118470402) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
PubChem CID118470402
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1cc(-c2cc(-c3cc(S(=O)(=O)N[C@H]4CCC[C@@H]4O)ccc3C)cnc2N)on1
InChIInChI=1S/C21H24N4O4S/c1-12-6-7-15(30(27,28)25-18-4-3-5-19(18)26)10-16(12)14-9-17(21(22)23-11-14)20-8-13(2)24-29-20/h6-11,18-19,25-26H,3-5H2,1-2H3,(H2,22,23)/t18-,19-/m0/s1
InChIKeyWNFRNSMPYGJUNB-OALUTQOASA-N
XLogP2.79
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(3-hydroxycyclopentyl)-4-methylbenzenesulfonamide
CID 118470154
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N,4-dimethylbenzenesulfonamide
CID 139499925
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[2-(oxan-4-yl)ethyl]benzenesulfonamide
CID 126512423
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide;hydrochloride
CID 126512138
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 118470041
[(2S)-1-[3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methylphenyl]sulfonylpyrrolidin-2-yl]methanol
CID 118469981
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzenesulfonamide
CID 118469990
[(2S)-1-[3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methylphenyl]sulfonylpyrrolidin-2-yl]methanol;sulfane
CID 159510129
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 126512349
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 118470166
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 126512348
5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine
CID 118470123

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide (CID 118470402) is 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide is Cc1cc(-c2cc(-c3cc(S(=O)(=O)N[C@H]4CCC[C@@H]4O)ccc3C)cnc2N)on1.
What is the InChIKey of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide?
The InChIKey is WNFRNSMPYGJUNB-OALUTQOASA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-12-6-7-15(30(27,28)25-18-4-3-5-19(18)26)10-16(12)14-9-17(21(22)23-11-14)20-8-13(2)24-29-20/h6-11,18-19,25-26H,3-5H2,1-2H3,(H2,22,23)/t18-,19-/m0/s1.
What are the key properties of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide?
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide has a molecular weight of 428.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 118470402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).