N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide

C22H30N2O4S — CID 53286988

IUPACN-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccccc1CNC(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-4-18-12-14-20(15-13-18)24(29(3,26)27)16-8-11-22(25)23-17-19-9-6-7-10-21(19)28-5-2/h6-7,9-10,12-15H,4-5,8,11,16-17H2,1-3H3,(H,23,25)
InChIKeyPAPUYGUDNHBRGZ-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.51
Rot. Bonds11

About N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide

N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide (PubChem CID 53286988) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
PubChem CID53286988
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccccc1CNC(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-4-18-12-14-20(15-13-18)24(29(3,26)27)16-8-11-22(25)23-17-19-9-6-7-10-21(19)28-5-2/h6-7,9-10,12-15H,4-5,8,11,16-17H2,1-3H3,(H,23,25)
InChIKeyPAPUYGUDNHBRGZ-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286992
N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285488
N-[(2-ethoxyphenyl)methyl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286709
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 53286646
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 46773025
4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53287826
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800
N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30273805
N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30398538
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30273811

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide (CID 53286988) is N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide is CCOc1ccccc1CNC(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide?
The InChIKey is PAPUYGUDNHBRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-4-18-12-14-20(15-13-18)24(29(3,26)27)16-8-11-22(25)23-17-19-9-6-7-10-21(19)28-5-2/h6-7,9-10,12-15H,4-5,8,11,16-17H2,1-3H3,(H,23,25).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide?
N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide has a molecular weight of 418.56 g/mol, XLogP of 3.51, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53286988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).