4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide

C22H30N2O4S — CID 99132450

IUPAC4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
SMILESCCOc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-5-28-21-10-7-6-9-20(21)24(29(4,26)27)16-8-11-22(25)23-18(3)19-14-12-17(2)13-15-19/h6-7,9-10,12-15,18H,5,8,11,16H2,1-4H3,(H,23,25)/t18-/m0/s1
InChIKeyMHLRIPRQXVIBKO-SFHVURJKSA-N
MW418.56 g/mol
LogP3.82
Rot. Bonds10

About 4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide

4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide (PubChem CID 99132450) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
PubChem CID99132450
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
SMILESCCOc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-5-28-21-10-7-6-9-20(21)24(29(4,26)27)16-8-11-22(25)23-18(3)19-14-12-17(2)13-15-19/h6-7,9-10,12-15,18H,5,8,11,16H2,1-4H3,(H,23,25)/t18-/m0/s1
InChIKeyMHLRIPRQXVIBKO-SFHVURJKSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165754
4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 99132556
4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132659275
4-(2-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132826
N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide
CID 132673931
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30306723
4-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172688
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99950083
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132883
4-(2-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165749
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
CID 21173577
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 92685083

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of 4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide (CID 99132450) is 4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide is CCOc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of 4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The InChIKey is MHLRIPRQXVIBKO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-5-28-21-10-7-6-9-20(21)24(29(4,26)27)16-8-11-22(25)23-18(3)19-14-12-17(2)13-15-19/h6-7,9-10,12-15,18H,5,8,11,16H2,1-4H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide has a molecular weight of 418.56 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 99132450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).