2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide

C20H25ClN2O4S — CID 133184574

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C20H25ClN2O4S/c1-14-5-8-18(11-15(14)2)27-13-16(3)22-20(24)12-23(4)28(25,26)19-9-6-17(21)7-10-19/h5-11,16H,12-13H2,1-4H3,(H,22,24)
InChIKeyMBPLNAOAVPUCGL-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.16
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide (PubChem CID 133184574) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
PubChem CID133184574
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C20H25ClN2O4S/c1-14-5-8-18(11-15(14)2)27-13-16(3)22-20(24)12-23(4)28(25,26)19-9-6-17(21)7-10-19/h5-11,16H,12-13H2,1-4H3,(H,22,24)
InChIKeyMBPLNAOAVPUCGL-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide with MolForge

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100667509
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2583856
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133160447
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43899060
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 26034287
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897008
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897103
2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 100767509
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133217368
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 92512484
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 132660114

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide (CID 133184574) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide is Cc1ccc(OCC(C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide?
The InChIKey is MBPLNAOAVPUCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-14-5-8-18(11-15(14)2)27-13-16(3)22-20(24)12-23(4)28(25,26)19-9-6-17(21)7-10-19/h5-11,16H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide has a molecular weight of 424.95 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 133184574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).