N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide

C22H30N2O4S — CID 133199763

IUPACN-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCc1ccc(C(C)NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-18-8-10-19(11-9-18)17(2)23-22(25)7-6-16-24(29(4,26)27)20-12-14-21(28-3)15-13-20/h8-15,17H,5-7,16H2,1-4H3,(H,23,25)
InChIKeyVRVMNVNMFXWZRA-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.68
Rot. Bonds10

About N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide

N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 133199763) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID133199763
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCc1ccc(C(C)NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-18-8-10-19(11-9-18)17(2)23-22(25)7-6-16-24(29(4,26)27)20-12-14-21(28-3)15-13-20/h8-15,17H,5-7,16H2,1-4H3,(H,23,25)
InChIKeyVRVMNVNMFXWZRA-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165753
N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 132673257
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 94019283
4-(4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 133190913
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]butanamide
CID 100735118
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]butanamide
CID 100500032
4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
CID 133250137
4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53286515
4-(4-ethoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53286904
N-(2,4-dimethylpentan-3-yl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286587
4-(2-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132826
4-(4-methoxy-N-methylsulfonylanilino)-N-[1-(2-methylphenyl)ethyl]butanamide
CID 133230757

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide (CID 133199763) is N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide is CCc1ccc(C(C)NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is VRVMNVNMFXWZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-5-18-8-10-19(11-9-18)17(2)23-22(25)7-6-16-24(29(4,26)27)20-12-14-21(28-3)15-13-20/h8-15,17H,5-7,16H2,1-4H3,(H,23,25).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide?
N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 418.56 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 133199763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).