N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide

C22H29N3O5S — CID 55749562

IUPACN-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)c2cccc(S(=O)(=O)NCCOC)c2)c1
InChIInChI=1S/C22H29N3O5S/c1-4-16(2)25-22(27)18-8-5-7-17(13-18)15-23-21(26)19-9-6-10-20(14-19)31(28,29)24-11-12-30-3/h5-10,13-14,16,24H,4,11-12,15H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyQNGPOGNNNJFJDZ-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.07
Rot. Bonds11

About N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide

N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide (PubChem CID 55749562) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide
PubChem CID55749562
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)c2cccc(S(=O)(=O)NCCOC)c2)c1
InChIInChI=1S/C22H29N3O5S/c1-4-16(2)25-22(27)18-8-5-7-17(13-18)15-23-21(26)19-9-6-10-20(14-19)31(28,29)24-11-12-30-3/h5-10,13-14,16,24H,4,11-12,15H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyQNGPOGNNNJFJDZ-UHFFFAOYSA-N
XLogP2.07
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 134019674
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109063623
N-[2-(ethylamino)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119504724
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
N-(furan-2-ylmethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063553
3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 134045498
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide?
The IUPAC name of N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide (CID 55749562) is N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide is CCC(C)NC(=O)c1cccc(CNC(=O)c2cccc(S(=O)(=O)NCCOC)c2)c1.
What is the InChIKey of N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide?
The InChIKey is QNGPOGNNNJFJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-4-16(2)25-22(27)18-8-5-7-17(13-18)15-23-21(26)19-9-6-10-20(14-19)31(28,29)24-11-12-30-3/h5-10,13-14,16,24H,4,11-12,15H2,1-3H3,(H,23,26)(H,25,27).
What are the key properties of N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide?
N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 2.07, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 55749562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).