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

C19H25N3O3S — CID 132656451

IUPACN-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)NCCN(C)c1ccccc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H25N3O3S/c1-16(22(26(3,24)25)18-12-8-5-9-13-18)19(23)20-14-15-21(2)17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3,(H,20,23)
InChIKeyYNFQRFPFEWDQIZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.09
Rot. Bonds8

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

N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide (PubChem CID 132656451) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
PubChem CID132656451
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)NCCN(C)c1ccccc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H25N3O3S/c1-16(22(26(3,24)25)18-12-8-5-9-13-18)19(23)20-14-15-21(2)17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3,(H,20,23)
InChIKeyYNFQRFPFEWDQIZ-UHFFFAOYSA-N
XLogP2.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 132659087
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
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
(2S)-N-(2-tert-butylsulfanylethyl)-2-(N-methylsulfonylanilino)propanamide
CID 7303925
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132671407
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070
2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 2915171
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132670025
(2R)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 7297206
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide (CID 132656451) is N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide is CC(C(=O)NCCN(C)c1ccccc1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is YNFQRFPFEWDQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-16(22(26(3,24)25)18-12-8-5-9-13-18)19(23)20-14-15-21(2)17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide?
N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 375.49 g/mol, XLogP of 2.09, 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-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132656451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).