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

C23H32N2O5S — CID 132674456

IUPAC2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
SMILESCCCOc1ccccc1CCCNC(=O)C(C)N(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C23H32N2O5S/c1-5-16-30-22-14-7-6-10-19(22)11-9-15-24-23(26)18(2)25(31(4,27)28)20-12-8-13-21(17-20)29-3/h6-8,10,12-14,17-18H,5,9,11,15-16H2,1-4H3,(H,24,26)
InChIKeySWIVRKIEHSTMNX-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.39
Rot. Bonds12

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

2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide (PubChem CID 132674456) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
PubChem CID132674456
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC Name2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
SMILESCCCOc1ccccc1CCCNC(=O)C(C)N(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C23H32N2O5S/c1-5-16-30-22-14-7-6-10-19(22)11-9-15-24-23(26)18(2)25(31(4,27)28)20-12-8-13-21(17-20)29-3/h6-8,10,12-14,17-18H,5,9,11,15-16H2,1-4H3,(H,24,26)
InChIKeySWIVRKIEHSTMNX-UHFFFAOYSA-N
XLogP3.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 132669642
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide
CID 132667606
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185268
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125079417
N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132662384
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 95118543
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 95118542
N-[3-(2-chlorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132671760
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30220604
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide
CID 132671710
2-(3-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218876
2-(3-methoxy-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 132670959

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide?
The IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide (CID 132674456) is 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide.
What is the SMILES notation for 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide?
The canonical SMILES for 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide is CCCOc1ccccc1CCCNC(=O)C(C)N(c1cccc(OC)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide?
The InChIKey is SWIVRKIEHSTMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-5-16-30-22-14-7-6-10-19(22)11-9-15-24-23(26)18(2)25(31(4,27)28)20-12-8-13-21(17-20)29-3/h6-8,10,12-14,17-18H,5,9,11,15-16H2,1-4H3,(H,24,26).
What are the key properties of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide?
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide has a molecular weight of 448.59 g/mol, XLogP of 3.39, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide is sourced from PubChem (CID 132674456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).