2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide

C23H32N2O4S — CID 132669642

IUPAC2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
SMILESCCCOc1ccccc1CCCNC(=O)C(C)N(c1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C23H32N2O4S/c1-5-16-29-22-14-7-6-11-20(22)12-9-15-24-23(26)19(3)25(30(4,27)28)21-13-8-10-18(2)17-21/h6-8,10-11,13-14,17,19H,5,9,12,15-16H2,1-4H3,(H,24,26)
InChIKeyCEFLSQPNHIBPRF-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.69
Rot. Bonds11

About 2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide

2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide (PubChem CID 132669642) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
PubChem CID132669642
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
SMILESCCCOc1ccccc1CCCNC(=O)C(C)N(c1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C23H32N2O4S/c1-5-16-29-22-14-7-6-11-20(22)12-9-15-24-23(26)19(3)25(30(4,27)28)21-13-8-10-18(2)17-21/h6-8,10-11,13-14,17,19H,5,9,12,15-16H2,1-4H3,(H,24,26)
InChIKeyCEFLSQPNHIBPRF-UHFFFAOYSA-N
XLogP3.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.69
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

2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 132674456
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide
CID 132667606
N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132662384
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide
CID 132671710
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 133185468
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133166033
N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132659326
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185271
N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288205
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132666327
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165892
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(2,5-dimethylphenoxy)ethyl]propanamide
CID 133166037

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide?
The IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide (CID 132669642) is 2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide is CCCOc1ccccc1CCCNC(=O)C(C)N(c1cccc(C)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide?
The InChIKey is CEFLSQPNHIBPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-5-16-29-22-14-7-6-11-20(22)12-9-15-24-23(26)19(3)25(30(4,27)28)21-13-8-10-18(2)17-21/h6-8,10-11,13-14,17,19H,5,9,12,15-16H2,1-4H3,(H,24,26).
What are the key properties of 2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide?
2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide has a molecular weight of 432.59 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide is sourced from PubChem (CID 132669642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).