4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide

C26H30N2O4S — CID 133202056

IUPAC4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide
SMILESCC(CNC(=O)CCCN(c1ccccc1Oc1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C26H30N2O4S/c1-21(22-12-5-3-6-13-22)20-27-26(29)18-11-19-28(33(2,30)31)24-16-9-10-17-25(24)32-23-14-7-4-8-15-23/h3-10,12-17,21H,11,18-20H2,1-2H3,(H,27,29)
InChIKeyHOCMAFCODLQMRM-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.95
Rot. Bonds11

About 4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide

4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide (PubChem CID 133202056) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide
PubChem CID133202056
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide
SMILESCC(CNC(=O)CCCN(c1ccccc1Oc1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C26H30N2O4S/c1-21(22-12-5-3-6-13-22)20-27-26(29)18-11-19-28(33(2,30)31)24-16-9-10-17-25(24)32-23-14-7-4-8-15-23/h3-10,12-17,21H,11,18-20H2,1-2H3,(H,27,29)
InChIKeyHOCMAFCODLQMRM-UHFFFAOYSA-N
XLogP4.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide 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

4-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide
CID 133218516
4-[(N-methylsulfonyl-2-phenoxyanilino)methyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 100503717
4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide
CID 133200487
N-[2-(4-chlorophenyl)ethyl]-4-(N-methylsulfonyl-2-phenoxyanilino)butanamide
CID 100503199
4-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-2-phenylpropyl]butanamide
CID 100500066
4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide
CID 133201998
4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132659275
N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288570
N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30255339
N-(1,2-dihydroacenaphthylen-5-yl)-4-(N-methylsulfonyl-2-phenoxyanilino)butanamide
CID 100503541
4-(2-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132826
N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide
CID 113146440

Frequently Asked Questions

What is the IUPAC name of 4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide?
The IUPAC name of 4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide (CID 133202056) is 4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide.
What is the SMILES notation for 4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide?
The canonical SMILES for 4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide is CC(CNC(=O)CCCN(c1ccccc1Oc1ccccc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide?
The InChIKey is HOCMAFCODLQMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-21(22-12-5-3-6-13-22)20-27-26(29)18-11-19-28(33(2,30)31)24-16-9-10-17-25(24)32-23-14-7-4-8-15-23/h3-10,12-17,21H,11,18-20H2,1-2H3,(H,27,29).
What are the key properties of 4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide?
4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide has a molecular weight of 466.60 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide is sourced from PubChem (CID 133202056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).