2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide

C21H28N2O6S — CID 132670775

IUPAC2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
SMILESCOc1ccc(OCC(C)NC(=O)C(C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O6S/c1-15(14-29-19-11-9-18(27-3)10-12-19)22-21(24)16(2)23(30(5,25)26)17-7-6-8-20(13-17)28-4/h6-13,15-16H,14H2,1-5H3,(H,22,24)
InChIKeyOGJDLWSPCHGKIE-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.44
Rot. Bonds10

About 2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide

2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide (PubChem CID 132670775) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
PubChem CID132670775
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC Name2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
SMILESCOc1ccc(OCC(C)NC(=O)C(C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O6S/c1-15(14-29-19-11-9-18(27-3)10-12-19)22-21(24)16(2)23(30(5,25)26)17-7-6-8-20(13-17)28-4/h6-13,15-16H,14H2,1-5H3,(H,22,24)
InChIKeyOGJDLWSPCHGKIE-UHFFFAOYSA-N
XLogP2.44
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 132670203
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 132663175
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 125052446
N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132671548
(2R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125059418
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125079417
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125044125
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125083726
(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 125044271
4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide
CID 125057323
4-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide
CID 133184345
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125044091

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide?
The IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide (CID 132670775) is 2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for 2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide?
The canonical SMILES for 2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide is COc1ccc(OCC(C)NC(=O)C(C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide?
The InChIKey is OGJDLWSPCHGKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-15(14-29-19-11-9-18(27-3)10-12-19)22-21(24)16(2)23(30(5,25)26)17-7-6-8-20(13-17)28-4/h6-13,15-16H,14H2,1-5H3,(H,22,24).
What are the key properties of 2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide?
2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide has a molecular weight of 436.53 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 132670775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).