4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide

C26H30N2O4S — CID 125052831

IUPAC4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
SMILESCOc1ccccc1N(CCCC(=O)N[C@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C26H30N2O4S/c1-20-12-7-8-15-22(20)26(21-13-5-4-6-14-21)27-25(29)18-11-19-28(33(3,30)31)23-16-9-10-17-24(23)32-2/h4-10,12-17,26H,11,18-19H2,1-3H3,(H,27,29)/t26-/m1/s1
InChIKeyGDGLBSQWVAZPEB-AREMUKBSSA-N
MW466.60 g/mol
LogP4.46
Rot. Bonds10

About 4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide

4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide (PubChem CID 125052831) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide.

Molecular Properties

Compound Name4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
PubChem CID125052831
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
SMILESCOc1ccccc1N(CCCC(=O)N[C@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C26H30N2O4S/c1-20-12-7-8-15-22(20)26(21-13-5-4-6-14-21)27-25(29)18-11-19-28(33(3,30)31)23-16-9-10-17-24(23)32-2/h4-10,12-17,26H,11,18-19H2,1-3H3,(H,27,29)/t26-/m1/s1
InChIKeyGDGLBSQWVAZPEB-AREMUKBSSA-N
XLogP4.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28579235
4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132659275
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]butanamide
CID 43885295
4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 133186861
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133187595
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132883
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825
4-(2-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132826
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92678174
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2,4-dimethylphenyl)-phenylmethyl]butanamide
CID 133201653
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 133210923
N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide
CID 95616819

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide?
The IUPAC name of 4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide (CID 125052831) is 4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide.
What is the SMILES notation for 4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide?
The canonical SMILES for 4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide is COc1ccccc1N(CCCC(=O)N[C@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of 4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide?
The InChIKey is GDGLBSQWVAZPEB-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-20-12-7-8-15-22(20)26(21-13-5-4-6-14-21)27-25(29)18-11-19-28(33(3,30)31)23-16-9-10-17-24(23)32-2/h4-10,12-17,26H,11,18-19H2,1-3H3,(H,27,29)/t26-/m1/s1.
What are the key properties of 4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide?
4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide has a molecular weight of 466.60 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide is sourced from PubChem (CID 125052831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).