(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide

C17H18Cl2N2O3S — CID 124561170

IUPAC(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H18Cl2N2O3S/c1-12(17(22)20-11-13-6-4-3-5-7-13)21(25(2,23)24)16-10-14(18)8-9-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyLTIIFULGIFNMTN-GFCCVEGCSA-N
MW401.32 g/mol
LogP3.46
Rot. Bonds6

About (2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide

(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide (PubChem CID 124561170) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
PubChem CID124561170
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H18Cl2N2O3S/c1-12(17(22)20-11-13-6-4-3-5-7-13)21(25(2,23)24)16-10-14(18)8-9-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyLTIIFULGIFNMTN-GFCCVEGCSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 99130811
N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 53281295
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 53281220
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 53281217
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92675165
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190415
(2S)-N-[(4-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131911
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561154
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 40823143
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991605
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218795

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide (CID 124561170) is (2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide is C[C@H](C(=O)NCc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of (2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The InChIKey is LTIIFULGIFNMTN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-12(17(22)20-11-13-6-4-3-5-7-13)21(25(2,23)24)16-10-14(18)8-9-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide has a molecular weight of 401.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 124561170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).