N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide

C20H27N3O3S — CID 132659087

IUPACN-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H27N3O3S/c1-16-10-12-19(13-11-16)23(27(4,25)26)17(2)20(24)21-14-15-22(3)18-8-6-5-7-9-18/h5-13,17H,14-15H2,1-4H3,(H,21,24)
InChIKeyYEUHQFFMOUOJCT-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.40
Rot. Bonds8

About N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide

N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 132659087) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID132659087
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H27N3O3S/c1-16-10-12-19(13-11-16)23(27(4,25)26)17(2)20(24)21-14-15-22(3)18-8-6-5-7-9-18/h5-13,17H,14-15H2,1-4H3,(H,21,24)
InChIKeyYEUHQFFMOUOJCT-UHFFFAOYSA-N
XLogP2.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide 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-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 132656451
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 132662116
N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132672841
(2R)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 7297206
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 2217803
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132670025
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416716
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416717
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 28634282
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]propanamide
CID 124549731

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide (CID 132659087) is N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(C(C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is YEUHQFFMOUOJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-16-10-12-19(13-11-16)23(27(4,25)26)17(2)20(24)21-14-15-22(3)18-8-6-5-7-9-18/h5-13,17H,14-15H2,1-4H3,(H,21,24).
What are the key properties of N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide?
N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 389.52 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132659087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).