2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide

C19H22N2O4S — CID 133187295

IUPAC2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)C(c2ccccc2)N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-14-25-17-12-10-16(11-13-17)20-19(22)18(21(2)26(3,23)24)15-8-6-5-7-9-15/h4-13,18H,1,14H2,2-3H3,(H,20,22)
InChIKeyUUCVJSLVQBTVEQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.82
Rot. Bonds8

About 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide

2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide (PubChem CID 133187295) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide
PubChem CID133187295
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)C(c2ccccc2)N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-14-25-17-12-10-16(11-13-17)20-19(22)18(21(2)26(3,23)24)15-8-6-5-7-9-15/h4-13,18H,1,14H2,2-3H3,(H,20,22)
InChIKeyUUCVJSLVQBTVEQ-UHFFFAOYSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.82
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

(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125060901
N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133210950
N-(3-ethoxyphenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133184977
(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125054387
N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133184237
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 133166793
2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
CID 4952534
2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54815005
N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133252135
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-prop-2-enoxyphenyl)butanamide
CID 100720771
(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
CID 125054821

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide (CID 133187295) is 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide is C=CCOc1ccc(NC(=O)C(c2ccccc2)N(C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide?
The InChIKey is UUCVJSLVQBTVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-14-25-17-12-10-16(11-13-17)20-19(22)18(21(2)26(3,23)24)15-8-6-5-7-9-15/h4-13,18H,1,14H2,2-3H3,(H,20,22).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide?
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide has a molecular weight of 374.46 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 133187295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).