2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide

C19H23FN2O5S — CID 28549003

IUPAC2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2cc(F)ccc2OC)cc1
InChIInChI=1S/C19H23FN2O5S/c1-13(14-5-8-16(26-3)9-6-14)21-19(23)12-22(2)28(24,25)18-11-15(20)7-10-17(18)27-4/h5-11,13H,12H2,1-4H3,(H,21,23)/t13-/m1/s1
InChIKeyVTTIGARMVPXOBN-CYBMUJFWSA-N
MW410.47 g/mol
LogP2.34
Rot. Bonds8

About 2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide

2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 28549003) has the molecular formula C19H23FN2O5S and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID28549003
Molecular FormulaC19H23FN2O5S
Molecular Weight410.47 g/mol
Exact Mass410.13
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2cc(F)ccc2OC)cc1
InChIInChI=1S/C19H23FN2O5S/c1-13(14-5-8-16(26-3)9-6-14)21-19(23)12-22(2)28(24,25)18-11-15(20)7-10-17(18)27-4/h5-11,13H,12H2,1-4H3,(H,21,23)/t13-/m1/s1
InChIKeyVTTIGARMVPXOBN-CYBMUJFWSA-N
XLogP2.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30168616
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 28549007
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43891537
2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906609
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28546036
2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 92517160
N-[1-(4-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 43891536
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872670
N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 43872231
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680076
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 125058379
2-[ethylsulfonyl(methyl)amino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 133255493

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide (CID 28549003) is 2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2cc(F)ccc2OC)cc1.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is VTTIGARMVPXOBN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23FN2O5S/c1-13(14-5-8-16(26-3)9-6-14)21-19(23)12-22(2)28(24,25)18-11-15(20)7-10-17(18)27-4/h5-11,13H,12H2,1-4H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28549003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).