4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide

C20H25N3O5S — CID 55869026

IUPAC4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)c2ccc(S(=O)(=O)NOC)cc2)c1
InChIInChI=1S/C20H25N3O5S/c1-4-14(2)19(24)22-17-7-5-6-15(12-17)13-21-20(25)16-8-10-18(11-9-16)29(26,27)23-28-3/h5-12,14,23H,4,13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyYQQJSTDLIUWBDD-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.44
Rot. Bonds9

About 4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide

4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide (PubChem CID 55869026) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
PubChem CID55869026
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)c2ccc(S(=O)(=O)NOC)cc2)c1
InChIInChI=1S/C20H25N3O5S/c1-4-14(2)19(24)22-17-7-5-6-15(12-17)13-21-20(25)16-8-10-18(11-9-16)29(26,27)23-28-3/h5-12,14,23H,4,13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyYQQJSTDLIUWBDD-UHFFFAOYSA-N
XLogP2.44
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 119716862
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78882027
3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 55749646
4-[(2-methoxyphenyl)sulfamoyl]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 30750492
3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide
CID 55724845
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119181695
4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479173
3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 33022275
2-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]-5-methylsulfanylbenzamide
CID 55749295
3-chloro-N-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55868514
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726

Frequently Asked Questions

What is the IUPAC name of 4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide?
The IUPAC name of 4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide (CID 55869026) is 4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide is CCC(C)C(=O)Nc1cccc(CNC(=O)c2ccc(S(=O)(=O)NOC)cc2)c1.
What is the InChIKey of 4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide?
The InChIKey is YQQJSTDLIUWBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-4-14(2)19(24)22-17-7-5-6-15(12-17)13-21-20(25)16-8-10-18(11-9-16)29(26,27)23-28-3/h5-12,14,23H,4,13H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide?
4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 55869026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).