N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide

C19H18ClF3N4O3S — CID 163625310

IUPACN-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
SMILESC/N=C/C(=C(N)C(F)(F)F)c1ccc(NC(=O)Cc2ccccc2Cl)cc1S(N)(=O)=O
InChIInChI=1S/C19H18ClF3N4O3S/c1-26-10-14(18(24)19(21,22)23)13-7-6-12(9-16(13)31(25,29)30)27-17(28)8-11-4-2-3-5-15(11)20/h2-7,9-10H,8,24H2,1H3,(H,27,28)(H2,25,29,30)/b18-14?,26-10+
InChIKeyUDRRWVGZYVZIQL-SGVWNBPVSA-N
MW474.89 g/mol
LogP3.10
Rot. Bonds6

About N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide

N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide (PubChem CID 163625310) has the molecular formula C19H18ClF3N4O3S and a molecular weight of 474.89 g/mol. Its IUPAC name is N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
PubChem CID163625310
Molecular FormulaC19H18ClF3N4O3S
Molecular Weight474.89 g/mol
Exact Mass474.07
IUPAC NameN-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
SMILESC/N=C/C(=C(N)C(F)(F)F)c1ccc(NC(=O)Cc2ccccc2Cl)cc1S(N)(=O)=O
InChIInChI=1S/C19H18ClF3N4O3S/c1-26-10-14(18(24)19(21,22)23)13-7-6-12(9-16(13)31(25,29)30)27-17(28)8-11-4-2-3-5-15(11)20/h2-7,9-10H,8,24H2,1H3,(H,27,28)(H2,25,29,30)/b18-14?,26-10+
InChIKeyUDRRWVGZYVZIQL-SGVWNBPVSA-N
XLogP3.10
TPSA127.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.89
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-amino-3-[2-(trifluoromethoxy)ethylimino]prop-1-en-2-yl]-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 167629529
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
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CID 134588175
4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide
CID 134603951
2-(2-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]-3-sulfamoylphenyl]acetamide
CID 145203258
2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 18290212
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 166493198
potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride
CID 175573050
2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide (CID 163625310) is N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide is C/N=C/C(=C(N)C(F)(F)F)c1ccc(NC(=O)Cc2ccccc2Cl)cc1S(N)(=O)=O.
What is the InChIKey of N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is UDRRWVGZYVZIQL-SGVWNBPVSA-N. The full InChI is InChI=1S/C19H18ClF3N4O3S/c1-26-10-14(18(24)19(21,22)23)13-7-6-12(9-16(13)31(25,29)30)27-17(28)8-11-4-2-3-5-15(11)20/h2-7,9-10H,8,24H2,1H3,(H,27,28)(H2,25,29,30)/b18-14?,26-10+.
What are the key properties of N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide?
N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 474.89 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 163625310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).