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

C19H22Cl2N2O4S — CID 30246471

IUPAC2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O4S/c1-13-6-4-5-7-18(13)27-12-14(2)22-19(24)11-23(28(3,25)26)17-9-8-15(20)10-16(17)21/h4-10,14H,11-12H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyHBABXBOFBJXVNW-CQSZACIVSA-N
MW445.37 g/mol
LogP3.65
Rot. Bonds8

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

2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide (PubChem CID 30246471) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
PubChem CID30246471
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O4S/c1-13-6-4-5-7-18(13)27-12-14(2)22-19(24)11-23(28(3,25)26)17-9-8-15(20)10-16(17)21/h4-10,14H,11-12H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyHBABXBOFBJXVNW-CQSZACIVSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895945
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895429
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30223325
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43896037
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30253081
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 43901342
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 43895374
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897919
2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895851
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43894047
2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30242468
2-(3-acetyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43898522

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide (CID 30246471) is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide is Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is HBABXBOFBJXVNW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-13-6-4-5-7-18(13)27-12-14(2)22-19(24)11-23(28(3,25)26)17-9-8-15(20)10-16(17)21/h4-10,14H,11-12H2,1-3H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide?
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 445.37 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 30246471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).