N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide

C23H32N2O4S — CID 133200028

IUPACN-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCc1ccc(CC)c(CNC(=O)C(CC)N(c2ccc(OC)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H32N2O4S/c1-6-17-9-10-18(7-2)19(15-17)16-24-23(26)22(8-3)25(30(5,27)28)20-11-13-21(29-4)14-12-20/h9-15,22H,6-8,16H2,1-5H3,(H,24,26)
InChIKeySWAKXSYLGOERGV-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.68
Rot. Bonds10

About N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide

N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 133200028) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID133200028
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC NameN-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCc1ccc(CC)c(CNC(=O)C(CC)N(c2ccc(OC)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H32N2O4S/c1-6-17-9-10-18(7-2)19(15-17)16-24-23(26)22(8-3)25(30(5,27)28)20-11-13-21(29-4)14-12-20/h9-15,22H,6-8,16H2,1-5H3,(H,24,26)
InChIKeySWAKXSYLGOERGV-UHFFFAOYSA-N
XLogP3.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 133202204
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2,5-diethylphenyl)methyl]butanamide
CID 100763029
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]butanamide
CID 132662287
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 95118747
N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132671766
(2S)-N-[(2,5-diethylphenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100528695
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 94027037
N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 133202321
N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132659291
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 132672686
2-(4-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43909120
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 132670191

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide (CID 133200028) is N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide is CCc1ccc(CC)c(CNC(=O)C(CC)N(c2ccc(OC)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is SWAKXSYLGOERGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-6-17-9-10-18(7-2)19(15-17)16-24-23(26)22(8-3)25(30(5,27)28)20-11-13-21(29-4)14-12-20/h9-15,22H,6-8,16H2,1-5H3,(H,24,26).
What are the key properties of N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 432.59 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-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 133200028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).