2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide

C21H28N2O5S — CID 132666260

IUPAC2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCCC(C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-6-20(21(24)22(2)15-16-7-11-18(27-3)12-8-16)23(29(5,25)26)17-9-13-19(28-4)14-10-17/h7-14,20H,6,15H2,1-5H3
InChIKeyNSSJCPQINXCSGO-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.91
Rot. Bonds9

About 2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide

2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide (PubChem CID 132666260) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
PubChem CID132666260
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCCC(C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-6-20(21(24)22(2)15-16-7-11-18(27-3)12-8-16)23(29(5,25)26)17-9-13-19(28-4)14-10-17/h7-14,20H,6,15H2,1-5H3
InChIKeyNSSJCPQINXCSGO-UHFFFAOYSA-N
XLogP2.91
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132671703
N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 132662390
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 132670755
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 95118747
(2R)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100581501
N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide
CID 132663427
(2S)-N,N-dibenzyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1004340
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide
CID 43907861
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 43905161
N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133200028
N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132671766
(2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1322663

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide (CID 132666260) is 2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide is CCC(C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide?
The InChIKey is NSSJCPQINXCSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-6-20(21(24)22(2)15-16-7-11-18(27-3)12-8-16)23(29(5,25)26)17-9-13-19(28-4)14-10-17/h7-14,20H,6,15H2,1-5H3.
What are the key properties of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide?
2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 420.53 g/mol, XLogP of 2.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 132666260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).