2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide

C18H19ClN2O3S — CID 2271136

IUPAC2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-3-12-20-18(22)13-21(16-8-6-15(19)7-9-16)25(23,24)17-10-4-14(2)5-11-17/h3-11H,1,12-13H2,2H3,(H,20,22)
InChIKeyOSFOPLDMVYARLB-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.15
Rot. Bonds7

About 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide

2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide (PubChem CID 2271136) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
PubChem CID2271136
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-3-12-20-18(22)13-21(16-8-6-15(19)7-9-16)25(23,24)17-10-4-14(2)5-11-17/h3-11H,1,12-13H2,2H3,(H,20,22)
InChIKeyOSFOPLDMVYARLB-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.15
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-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide
CID 30170794
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
CID 2286489
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338759
N-(4-chlorophenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345333
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271965
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 94020245
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-ethylphenyl)acetamide
CID 3316873
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058144
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2301025
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126415535

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide (CID 2271136) is 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide?
The InChIKey is OSFOPLDMVYARLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-3-12-20-18(22)13-21(16-8-6-15(19)7-9-16)25(23,24)17-10-4-14(2)5-11-17/h3-11H,1,12-13H2,2H3,(H,20,22).
What are the key properties of 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide?
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide has a molecular weight of 378.88 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 2271136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).