N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide

C12H14Cl2N2O3S — CID 113148224

IUPACN-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1cccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C12H14Cl2N2O3S/c1-3-7-16(20(2,18)19)8-11(17)15-10-6-4-5-9(13)12(10)14/h3-6H,1,7-8H2,2H3,(H,15,17)
InChIKeySXTWGIKZFWVFCQ-UHFFFAOYSA-N
MW337.23 g/mol
LogP2.38
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide

N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide (PubChem CID 113148224) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
PubChem CID113148224
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC NameN-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1cccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C12H14Cl2N2O3S/c1-3-7-16(20(2,18)19)8-11(17)15-10-6-4-5-9(13)12(10)14/h3-6H,1,7-8H2,2H3,(H,15,17)
InChIKeySXTWGIKZFWVFCQ-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113148147
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148226
N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2233147
N-(4-bromo-2-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148206
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 55327618
2-[acetyl(propan-2-yl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158283
3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423861
N-(2,3-dichlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976724
2-[(2,3-dichlorophenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4183757
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79275847
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
2-[acetyl(cyclopropyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158482

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide (CID 113148224) is N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide is C=CCN(CC(=O)Nc1cccc(Cl)c1Cl)S(C)(=O)=O.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
The InChIKey is SXTWGIKZFWVFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c1-3-7-16(20(2,18)19)8-11(17)15-10-6-4-5-9(13)12(10)14/h3-6H,1,7-8H2,2H3,(H,15,17).
What are the key properties of N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide has a molecular weight of 337.23 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 113148224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).