2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide

C21H29N3O3S — CID 132662116

IUPAC2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide
SMILESCc1cc(C)cc(N(C(C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C21H29N3O3S/c1-16-13-17(2)15-20(14-16)24(28(5,26)27)18(3)21(25)22-11-12-23(4)19-9-7-6-8-10-19/h6-10,13-15,18H,11-12H2,1-5H3,(H,22,25)
InChIKeyQRYSNFPCXVTSSO-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.71
Rot. Bonds8

About 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide (PubChem CID 132662116) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide
PubChem CID132662116
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide
SMILESCc1cc(C)cc(N(C(C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C21H29N3O3S/c1-16-13-17(2)15-20(14-16)24(28(5,26)27)18(3)21(25)22-11-12-23(4)19-9-7-6-8-10-19/h6-10,13-15,18H,11-12H2,1-5H3,(H,22,25)
InChIKeyQRYSNFPCXVTSSO-UHFFFAOYSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 132656451
N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 132659087
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 2962930
N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132672841
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 43834723
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132670025
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126384845
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132671407
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
CID 125062660
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 93486515
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]propanamide
CID 28569731
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 6490149

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide?
The IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide (CID 132662116) is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide?
The canonical SMILES for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide is Cc1cc(C)cc(N(C(C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide?
The InChIKey is QRYSNFPCXVTSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-16-13-17(2)15-20(14-16)24(28(5,26)27)18(3)21(25)22-11-12-23(4)19-9-7-6-8-10-19/h6-10,13-15,18H,11-12H2,1-5H3,(H,22,25).
What are the key properties of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide?
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide has a molecular weight of 403.55 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide is sourced from PubChem (CID 132662116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).