2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide

C18H30N2O4S — CID 19061986

IUPAC2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1ccc(C)c(N(C(C)C(=O)NCCCOC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C18H30N2O4S/c1-13(2)24-11-7-10-19-18(21)16(5)20(25(6,22)23)17-12-14(3)8-9-15(17)4/h8-9,12-13,16H,7,10-11H2,1-6H3,(H,19,21)
InChIKeyXQKFAOYDPDKWIO-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.39
Rot. Bonds9

About 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide

2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 19061986) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID19061986
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC Name2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1ccc(C)c(N(C(C)C(=O)NCCCOC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C18H30N2O4S/c1-13(2)24-11-7-10-19-18(21)16(5)20(25(6,22)23)17-12-14(3)8-9-15(17)4/h8-9,12-13,16H,7,10-11H2,1-6H3,(H,19,21)
InChIKeyXQKFAOYDPDKWIO-UHFFFAOYSA-N
XLogP2.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(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
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 92764890
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991605
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991472
(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 125063438
N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 133229341
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133244713
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 125071295
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 133229385
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133166033

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide (CID 19061986) is 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide is Cc1ccc(C)c(N(C(C)C(=O)NCCCOC(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is XQKFAOYDPDKWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-13(2)24-11-7-10-19-18(21)16(5)20(25(6,22)23)17-12-14(3)8-9-15(17)4/h8-9,12-13,16H,7,10-11H2,1-6H3,(H,19,21).
What are the key properties of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide?
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 370.52 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 19061986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).