2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide

C20H25ClN2O4S — CID 132667606

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide
SMILESCOc1ccccc1CCCNC(=O)C(C)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O4S/c1-15(23(28(3,25)26)18-11-6-10-17(21)14-18)20(24)22-13-7-9-16-8-4-5-12-19(16)27-2/h4-6,8,10-12,14-15H,7,9,13H2,1-3H3,(H,22,24)
InChIKeyCKQJKAVIMKUETI-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.25
Rot. Bonds9

About 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide

2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide (PubChem CID 132667606) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide
PubChem CID132667606
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide
SMILESCOc1ccccc1CCCNC(=O)C(C)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O4S/c1-15(23(28(3,25)26)18-11-6-10-17(21)14-18)20(24)22-13-7-9-16-8-4-5-12-19(16)27-2/h4-6,8,10-12,14-15H,7,9,13H2,1-3H3,(H,22,24)
InChIKeyCKQJKAVIMKUETI-UHFFFAOYSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.25
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-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide
CID 132668690
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide
CID 132671710
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 132669260
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 132674456
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 3610388
2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220477
2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 132669642
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 99130827
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125064726
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 28633407

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide (CID 132667606) is 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide is COc1ccccc1CCCNC(=O)C(C)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide?
The InChIKey is CKQJKAVIMKUETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-15(23(28(3,25)26)18-11-6-10-17(21)14-18)20(24)22-13-7-9-16-8-4-5-12-19(16)27-2/h4-6,8,10-12,14-15H,7,9,13H2,1-3H3,(H,22,24).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide?
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide has a molecular weight of 424.95 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide is sourced from PubChem (CID 132667606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).