N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide

C14H19ClN2O4S — CID 113148226

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)S(C)(=O)=O
InChIInChI=1S/C14H19ClN2O4S/c1-5-6-17(22(4,19)20)9-14(18)16-12-7-10(2)11(15)8-13(12)21-3/h5,7-8H,1,6,9H2,2-4H3,(H,16,18)
InChIKeyMCFJEHMFHAFLTE-UHFFFAOYSA-N
MW346.84 g/mol
LogP2.04
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide (PubChem CID 113148226) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
PubChem CID113148226
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)S(C)(=O)=O
InChIInChI=1S/C14H19ClN2O4S/c1-5-6-17(22(4,19)20)9-14(18)16-12-7-10(2)11(15)8-13(12)21-3/h5,7-8H,1,6,9H2,2-4H3,(H,16,18)
InChIKeyMCFJEHMFHAFLTE-UHFFFAOYSA-N
XLogP2.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423108
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
CID 113148028
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide
CID 113149007
N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148224
N-(4-bromo-2-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148206
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26055242
2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158086
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153482
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide (CID 113148226) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide is C=CCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)S(C)(=O)=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
The InChIKey is MCFJEHMFHAFLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-5-6-17(22(4,19)20)9-14(18)16-12-7-10(2)11(15)8-13(12)21-3/h5,7-8H,1,6,9H2,2-4H3,(H,16,18).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide has a molecular weight of 346.84 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 113148226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).