N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide

C21H28N2O4S — CID 53285488

IUPACN-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccccc1CNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-4-27-20-12-6-5-10-18(20)16-22-21(24)13-8-14-23(28(3,25)26)19-11-7-9-17(2)15-19/h5-7,9-12,15H,4,8,13-14,16H2,1-3H3,(H,22,24)
InChIKeyIDWMOOBDTJLNGL-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.26
Rot. Bonds10

About N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide

N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide (PubChem CID 53285488) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
PubChem CID53285488
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccccc1CNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-4-27-20-12-6-5-10-18(20)16-22-21(24)13-8-14-23(28(3,25)26)19-11-7-9-17(2)15-19/h5-7,9-12,15H,4,8,13-14,16H2,1-3H3,(H,22,24)
InChIKeyIDWMOOBDTJLNGL-UHFFFAOYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286709
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 46773025
N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 53286988
N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286992
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 53286646
N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285343
N-[(4-chlorophenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285185
N-[(2-ethoxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 60565788
N-(3-methylbutyl)-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 9172781
3-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113145922
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 53279417
3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113141766

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide (CID 53285488) is N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide is CCOc1ccccc1CNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide?
The InChIKey is IDWMOOBDTJLNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-27-20-12-6-5-10-18(20)16-22-21(24)13-8-14-23(28(3,25)26)19-11-7-9-17(2)15-19/h5-7,9-12,15H,4,8,13-14,16H2,1-3H3,(H,22,24).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide?
N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide has a molecular weight of 404.53 g/mol, XLogP of 3.26, 10 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-(3-methyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53285488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).