N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide

C24H33N3O4S — CID 20965249

IUPACN-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(CNc2ccc(C(=O)NCCC(C)C)cc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H33N3O4S/c1-18(2)10-11-25-24(28)21-8-9-22(26-17-20-6-4-19(3)5-7-20)23(16-21)32(29,30)27-12-14-31-15-13-27/h4-9,16,18,26H,10-15,17H2,1-3H3,(H,25,28)
InChIKeyCDWVHZJVSUIGSQ-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.40
Rot. Bonds9

About N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide

N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 20965249) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID20965249
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC NameN-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(CNc2ccc(C(=O)NCCC(C)C)cc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H33N3O4S/c1-18(2)10-11-25-24(28)21-8-9-22(26-17-20-6-4-19(3)5-7-20)23(16-21)32(29,30)27-12-14-31-15-13-27/h4-9,16,18,26H,10-15,17H2,1-3H3,(H,25,28)
InChIKeyCDWVHZJVSUIGSQ-UHFFFAOYSA-N
XLogP3.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide
CID 20965247
N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
CID 46349179
N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119495645
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60583878
4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 42904495
4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 2664064
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26172084
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823
N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 9303699
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide (CID 20965249) is N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(CNc2ccc(C(=O)NCCC(C)C)cc2S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CDWVHZJVSUIGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-18(2)10-11-25-24(28)21-8-9-22(26-17-20-6-4-19(3)5-7-20)23(16-21)32(29,30)27-12-14-31-15-13-27/h4-9,16,18,26H,10-15,17H2,1-3H3,(H,25,28).
What are the key properties of N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide?
N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 459.61 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 20965249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).