2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide

C18H20FN3O3S — CID 8905201

IUPAC2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C18H20FN3O3S/c19-14-6-4-13(5-7-14)11-22(16-8-9-16)12-18(23)21-15-2-1-3-17(10-15)26(20,24)25/h1-7,10,16H,8-9,11-12H2,(H,21,23)(H2,20,24,25)
InChIKeyZQOCSEKHVANCLC-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.08
Rot. Bonds7

About 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide

2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 8905201) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
PubChem CID8905201
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C18H20FN3O3S/c19-14-6-4-13(5-7-14)11-22(16-8-9-16)12-18(23)21-15-2-1-3-17(10-15)26(20,24)25/h1-7,10,16H,8-9,11-12H2,(H,21,23)(H2,20,24,25)
InChIKeyZQOCSEKHVANCLC-UHFFFAOYSA-N
XLogP2.08
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 8872555
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 55412859
3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide
CID 8906749
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 55682514
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide
CID 46568152
4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 46568070
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 26649194
3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide
CID 55483038
3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide
CID 46643223
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 35885885

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide (CID 8905201) is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide is NS(=O)(=O)c1cccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is ZQOCSEKHVANCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-14-6-4-13(5-7-14)11-22(16-8-9-16)12-18(23)21-15-2-1-3-17(10-15)26(20,24)25/h1-7,10,16H,8-9,11-12H2,(H,21,23)(H2,20,24,25).
What are the key properties of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide?
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 8905201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).