2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C20H26N2O4S — CID 110316930

IUPAC2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCOc1ccc(C(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)19(16-6-8-17(26-3)9-7-16)20(23)22-13-12-15-4-10-18(11-5-15)27(21,24)25/h4-11,14,19H,12-13H2,1-3H3,(H,22,23)(H2,21,24,25)
InChIKeyPJQLGRSCAHNXAM-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.44
Rot. Bonds8

About 2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 110316930) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID110316930
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCOc1ccc(C(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)19(16-6-8-17(26-3)9-7-16)20(23)22-13-12-15-4-10-18(11-5-15)27(21,24)25/h4-11,14,19H,12-13H2,1-3H3,(H,22,23)(H2,21,24,25)
InChIKeyPJQLGRSCAHNXAM-UHFFFAOYSA-N
XLogP2.44
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108510380
3-methyl-2-(4-methylphenyl)-N-[3-(4-sulfamoylphenyl)propyl]butanamide
CID 110313954
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111170022
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
1-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 113198430
2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
CID 110316942
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
1-ethyl-2-[3-(4-methoxyphenyl)butyl]-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111641700
2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 110316901
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 110316930) is 2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is COc1ccc(C(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is PJQLGRSCAHNXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14(2)19(16-6-8-17(26-3)9-7-16)20(23)22-13-12-15-4-10-18(11-5-15)27(21,24)25/h4-11,14,19H,12-13H2,1-3H3,(H,22,23)(H2,21,24,25).
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 390.51 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 110316930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).