2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide

C20H26N2O5S — CID 133160447

IUPAC2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)COc2ccccc2C)cc1
InChIInChI=1S/C20H26N2O5S/c1-15-7-5-6-8-19(15)27-14-16(2)21-20(23)13-22(3)28(24,25)18-11-9-17(26-4)10-12-18/h5-12,16H,13-14H2,1-4H3,(H,21,23)
InChIKeyJHCLCCOVBBTEPN-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.21
Rot. Bonds9

About 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide (PubChem CID 133160447) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
PubChem CID133160447
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)COc2ccccc2C)cc1
InChIInChI=1S/C20H26N2O5S/c1-15-7-5-6-8-19(15)27-14-16(2)21-20(23)13-22(3)28(24,25)18-11-9-17(26-4)10-12-18/h5-12,16H,13-14H2,1-4H3,(H,21,23)
InChIKeyJHCLCCOVBBTEPN-UHFFFAOYSA-N
XLogP2.21
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897761
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43892469
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 133187458
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897969
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100667509
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 27209685
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43894531
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897454
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 133184574
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28546628
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902234
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 92512484

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide (CID 133160447) is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)COc2ccccc2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is JHCLCCOVBBTEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-15-7-5-6-8-19(15)27-14-16(2)21-20(23)13-22(3)28(24,25)18-11-9-17(26-4)10-12-18/h5-12,16H,13-14H2,1-4H3,(H,21,23).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 406.50 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 133160447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).