N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide

C24H28N2O3S — CID 56603939

IUPACN-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C24H28N2O3S/c1-4-26(5-2)20-13-14-22(18(3)17-20)25-24(27)15-16-30(28,29)23-12-8-10-19-9-6-7-11-21(19)23/h6-14,17H,4-5,15-16H2,1-3H3,(H,25,27)
InChIKeyNXGVVTATYNEOKG-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.80
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide

N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide (PubChem CID 56603939) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide
PubChem CID56603939
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C24H28N2O3S/c1-4-26(5-2)20-13-14-22(18(3)17-20)25-24(27)15-16-30(28,29)23-12-8-10-19-9-6-7-11-21(19)23/h6-14,17H,4-5,15-16H2,1-3H3,(H,25,27)
InChIKeyNXGVVTATYNEOKG-UHFFFAOYSA-N
XLogP4.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide 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-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide
CID 56603891
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyphenyl)sulfonylpropanamide;2,2,2-trifluoroacetic acid
CID 56603869
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide
CID 3863600
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 113001706
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466
3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
CID 109036004
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide
CID 110424776

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide (CID 56603939) is N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide is CCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2cccc3ccccc23)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide?
The InChIKey is NXGVVTATYNEOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-4-26(5-2)20-13-14-22(18(3)17-20)25-24(27)15-16-30(28,29)23-12-8-10-19-9-6-7-11-21(19)23/h6-14,17H,4-5,15-16H2,1-3H3,(H,25,27).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide?
N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide has a molecular weight of 424.57 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide is sourced from PubChem (CID 56603939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).