4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide

C20H26N2O4S — CID 132659275

IUPAC4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
SMILESCOc1ccccc1N(CCCC(=O)NC(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-16(17-10-5-4-6-11-17)21-20(23)14-9-15-22(27(3,24)25)18-12-7-8-13-19(18)26-2/h4-8,10-13,16H,9,14-15H2,1-3H3,(H,21,23)
InChIKeyCLOBVQQNTQCCHV-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.12
Rot. Bonds9

About 4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide

4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide (PubChem CID 132659275) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
PubChem CID132659275
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
SMILESCOc1ccccc1N(CCCC(=O)NC(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-16(17-10-5-4-6-11-17)21-20(23)14-9-15-22(27(3,24)25)18-12-7-8-13-19(18)26-2/h4-8,10-13,16H,9,14-15H2,1-3H3,(H,21,23)
InChIKeyCLOBVQQNTQCCHV-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132826
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 133230550
4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 125052831
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 133210923
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132883
4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132450
4-(2-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165754
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133187595
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
CID 21173577
4-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172688
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132422

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide?
The IUPAC name of 4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide (CID 132659275) is 4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide?
The canonical SMILES for 4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide is COc1ccccc1N(CCCC(=O)NC(C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide?
The InChIKey is CLOBVQQNTQCCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-16(17-10-5-4-6-11-17)21-20(23)14-9-15-22(27(3,24)25)18-12-7-8-13-19(18)26-2/h4-8,10-13,16H,9,14-15H2,1-3H3,(H,21,23).
What are the key properties of 4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide?
4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide has a molecular weight of 390.51 g/mol, XLogP of 3.12, 9 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-(1-phenylethyl)butanamide is sourced from PubChem (CID 132659275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).