2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide

C19H22F2N2O4S — CID 30253081

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H22F2N2O4S/c1-13-6-4-5-7-18(13)27-12-14(2)22-19(24)11-23(28(3,25)26)15-8-9-16(20)17(21)10-15/h4-10,14H,11-12H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyKIVFWZCGLOTXNQ-CQSZACIVSA-N
MW412.46 g/mol
LogP2.62
Rot. Bonds8

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide (PubChem CID 30253081) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
PubChem CID30253081
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H22F2N2O4S/c1-13-6-4-5-7-18(13)27-12-14(2)22-19(24)11-23(28(3,25)26)15-8-9-16(20)17(21)10-15/h4-10,14H,11-12H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyKIVFWZCGLOTXNQ-CQSZACIVSA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895851
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30223325
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897919
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43896037
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895429
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 43895374
2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30242468
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30252600
2-(3-acetyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43898522
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895945
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30220436
N,N-dimethyl-4-[[2-[1-(2-methylphenoxy)propan-2-ylamino]-2-oxoethyl]-methylsulfonylamino]benzamide
CID 43901345

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide (CID 30253081) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide is Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is KIVFWZCGLOTXNQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c1-13-6-4-5-7-18(13)27-12-14(2)22-19(24)11-23(28(3,25)26)15-8-9-16(20)17(21)10-15/h4-10,14H,11-12H2,1-3H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 412.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 30253081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).