(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide

C17H18Cl2N2O4S — CID 124561236

IUPAC(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C17H18Cl2N2O4S/c1-11(17(22)20-13-5-7-14(25-2)8-6-13)21(26(3,23)24)16-10-12(18)4-9-15(16)19/h4-11H,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyUOVTXLXDNNJOSM-LLVKDONJSA-N
MW417.31 g/mol
LogP3.80
Rot. Bonds6

About (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide

(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide (PubChem CID 124561236) has the molecular formula C17H18Cl2N2O4S and a molecular weight of 417.31 g/mol. Its IUPAC name is (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
PubChem CID124561236
Molecular FormulaC17H18Cl2N2O4S
Molecular Weight417.31 g/mol
Exact Mass416.04
IUPAC Name(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C17H18Cl2N2O4S/c1-11(17(22)20-13-5-7-14(25-2)8-6-13)21(26(3,23)24)16-10-12(18)4-9-15(16)19/h4-11H,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyUOVTXLXDNNJOSM-LLVKDONJSA-N
XLogP3.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 7378362
methyl 2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 2985850
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100503371
ethyl 2-chloro-5-[[(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 93486799
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991560
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133200071
(2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 42554746
2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
CID 6464225
(2S)-N-(3,5-dichlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1095129
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
CID 132668084
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561203
(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1297089

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide (CID 124561236) is (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is UOVTXLXDNNJOSM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S/c1-11(17(22)20-13-5-7-14(25-2)8-6-13)21(26(3,23)24)16-10-12(18)4-9-15(16)19/h4-11H,1-3H3,(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide?
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide has a molecular weight of 417.31 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 124561236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).