2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide

C21H26N2O3S — CID 30170794

IUPAC2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O3S/c1-5-14-22-21(24)15-23(19-10-8-18(9-11-19)16(2)3)27(25,26)20-12-6-17(4)7-13-20/h5-13,16H,1,14-15H2,2-4H3,(H,22,24)
InChIKeyDDKICSJBKBVDDX-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.62
Rot. Bonds8

About 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide

2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide (PubChem CID 30170794) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide
PubChem CID30170794
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O3S/c1-5-14-22-21(24)15-23(19-10-8-18(9-11-19)16(2)3)27(25,26)20-12-6-17(4)7-13-20/h5-13,16H,1,14-15H2,2-4H3,(H,22,24)
InChIKeyDDKICSJBKBVDDX-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.62
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-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271136
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
CID 2286489
N-(3-methylbutan-2-yl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 133240950
N-[(2S)-3-methylbutan-2-yl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 100562767
N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 30213285
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30213477
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30213474
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 53279303
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 92684237
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171501
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271965

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide (CID 30170794) is 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide?
The InChIKey is DDKICSJBKBVDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-5-14-22-21(24)15-23(19-10-8-18(9-11-19)16(2)3)27(25,26)20-12-6-17(4)7-13-20/h5-13,16H,1,14-15H2,2-4H3,(H,22,24).
What are the key properties of 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide?
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide has a molecular weight of 386.52 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 30170794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).