N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide

C22H22ClN3O4S — CID 139489314

IUPACN-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide
SMILESCc1c(NC(=O)c2cccc(S(C)(=O)=O)c2)cccc1[C@@H](C)Oc1cc(Cl)cnc1N
InChIInChI=1S/C22H22ClN3O4S/c1-13-18(14(2)30-20-11-16(23)12-25-21(20)24)8-5-9-19(13)26-22(27)15-6-4-7-17(10-15)31(3,28)29/h4-12,14H,1-3H3,(H2,24,25)(H,26,27)/t14-/m1/s1
InChIKeyFFIOZPRDIVOTHX-CQSZACIVSA-N
MW459.96 g/mol
LogP4.42
Rot. Bonds6

About N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide

N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide (PubChem CID 139489314) has the molecular formula C22H22ClN3O4S and a molecular weight of 459.96 g/mol. Its IUPAC name is N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide
PubChem CID139489314
Molecular FormulaC22H22ClN3O4S
Molecular Weight459.96 g/mol
Exact Mass459.10
IUPAC NameN-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide
SMILESCc1c(NC(=O)c2cccc(S(C)(=O)=O)c2)cccc1[C@@H](C)Oc1cc(Cl)cnc1N
InChIInChI=1S/C22H22ClN3O4S/c1-13-18(14(2)30-20-11-16(23)12-25-21(20)24)8-5-9-19(13)26-22(27)15-6-4-7-17(10-15)31(3,28)29/h4-12,14H,1-3H3,(H2,24,25)(H,26,27)/t14-/m1/s1
InChIKeyFFIOZPRDIVOTHX-CQSZACIVSA-N
XLogP4.42
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide with MolForge

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Related Compounds

N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]-3-methylsulfonylbenzamide
CID 166039818
N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide
CID 166039761
N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide
CID 166039814
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide
CID 139489207
N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide
CID 166039881
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide
CID 139489368
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide
CID 166039897
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-chloro-5-methylbenzamide
CID 166039896
3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide
CID 163204610
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide (CID 139489314) is N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide is Cc1c(NC(=O)c2cccc(S(C)(=O)=O)c2)cccc1[C@@H](C)Oc1cc(Cl)cnc1N.
What is the InChIKey of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide?
The InChIKey is FFIOZPRDIVOTHX-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22ClN3O4S/c1-13-18(14(2)30-20-11-16(23)12-25-21(20)24)8-5-9-19(13)26-22(27)15-6-4-7-17(10-15)31(3,28)29/h4-12,14H,1-3H3,(H2,24,25)(H,26,27)/t14-/m1/s1.
What are the key properties of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide?
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide has a molecular weight of 459.96 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 139489314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).