4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide

C23H31N3O4S — CID 38585146

IUPAC4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
SMILESCCCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C(=O)N(C)C(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O4S/c1-5-6-15-31(29,30)25-21-13-11-19(12-14-21)22(27)24-16-18-7-9-20(10-8-18)23(28)26(4)17(2)3/h7-14,17,25H,5-6,15-16H2,1-4H3,(H,24,27)
InChIKeyHFMVENVRGGYSGB-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.64
Rot. Bonds10

About 4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide

4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide (PubChem CID 38585146) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
PubChem CID38585146
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
SMILESCCCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C(=O)N(C)C(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O4S/c1-5-6-15-31(29,30)25-21-13-11-19(12-14-21)22(27)24-16-18-7-9-20(10-8-18)23(28)26(4)17(2)3/h7-14,17,25H,5-6,15-16H2,1-4H3,(H,24,27)
InChIKeyHFMVENVRGGYSGB-UHFFFAOYSA-N
XLogP3.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-propan-2-yl-4-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]benzamide
CID 55760436
N-[4-(hydrazinecarbonyl)phenyl]pentane-1-sulfonamide
CID 67849300
N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55636040
4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide
CID 55611853
N,N-diethyl-4-(propylsulfonylamino)benzamide
CID 60640578
N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119431070
4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 21368424
N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 53280666
4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 94667266
N-methyl-4-(methylamino)-N-propan-2-ylbenzamide
CID 62166180
N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide
CID 70166510

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide (CID 38585146) is 4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide is CCCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C(=O)N(C)C(C)C)cc2)cc1.
What is the InChIKey of 4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is HFMVENVRGGYSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-5-6-15-31(29,30)25-21-13-11-19(12-14-21)22(27)24-16-18-7-9-20(10-8-18)23(28)26(4)17(2)3/h7-14,17,25H,5-6,15-16H2,1-4H3,(H,24,27).
What are the key properties of 4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 445.59 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 38585146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).