N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide

C19H25N3O3S — CID 113141712

IUPACN-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccccc1N(CCC(=O)Nc1ccc(N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C19H25N3O3S/c1-15-7-5-6-8-18(15)22(26(4,24)25)14-13-19(23)20-16-9-11-17(12-10-16)21(2)3/h5-12H,13-14H2,1-4H3,(H,20,23)
InChIKeyXURMBVNAUKBWKT-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.86
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide

N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 113141712) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide
PubChem CID113141712
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccccc1N(CCC(=O)Nc1ccc(N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C19H25N3O3S/c1-15-7-5-6-8-18(15)22(26(4,24)25)14-13-19(23)20-16-9-11-17(12-10-16)21(2)3/h5-12H,13-14H2,1-4H3,(H,20,23)
InChIKeyXURMBVNAUKBWKT-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 53288521
3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143714
N-(2,4-dimethylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141664
N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141646
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142623
N-(4-chloro-2-methylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141688
N-(3,4-dimethylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141510
N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142761
2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide
CID 2874689
N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143166
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142293

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide (CID 113141712) is N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide is Cc1ccccc1N(CCC(=O)Nc1ccc(N(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is XURMBVNAUKBWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15-7-5-6-8-18(15)22(26(4,24)25)14-13-19(23)20-16-9-11-17(12-10-16)21(2)3/h5-12H,13-14H2,1-4H3,(H,20,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide?
N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 375.49 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113141712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).