3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide

C17H18FN3O4S — CID 110425766

IUPAC3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)CCC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C17H18FN3O4S/c1-12(22)19-15-6-3-7-16(11-15)21-26(24,25)9-8-17(23)20-14-5-2-4-13(18)10-14/h2-7,10-11,21H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyKEBNVAFGUDPTLT-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.55
Rot. Bonds7

About 3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide

3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide (PubChem CID 110425766) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide
PubChem CID110425766
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)CCC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C17H18FN3O4S/c1-12(22)19-15-6-3-7-16(11-15)21-26(24,25)9-8-17(23)20-14-5-2-4-13(18)10-14/h2-7,10-11,21H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyKEBNVAFGUDPTLT-UHFFFAOYSA-N
XLogP2.55
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide
CID 110425753
N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide
CID 61456491
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578
N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110416843
3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid
CID 43711796
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide
CID 11391010
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242
N-[3-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110407310
N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110408469
4-(3-acetamidoanilino)-4-oxobutanoic acid
CID 825460

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide (CID 110425766) is 3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide is CC(=O)Nc1cccc(NS(=O)(=O)CCC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide?
The InChIKey is KEBNVAFGUDPTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-12(22)19-15-6-3-7-16(11-15)21-26(24,25)9-8-17(23)20-14-5-2-4-13(18)10-14/h2-7,10-11,21H,8-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide?
3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide has a molecular weight of 379.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 110425766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).