N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide

C17H16FN3O3S — CID 35707657

IUPACN-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESN#CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3O3S/c18-14-3-7-16(8-4-14)25(23,24)20-12-10-17(22)21-15-5-1-13(2-6-15)9-11-19/h1-8,20H,9-10,12H2,(H,21,22)
InChIKeyPPWFRGNADMSKAI-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.20
Rot. Bonds7

About N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide

N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 35707657) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID35707657
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC NameN-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESN#CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3O3S/c18-14-3-7-16(8-4-14)25(23,24)20-12-10-17(22)21-15-5-1-13(2-6-15)9-11-19/h1-8,20H,9-10,12H2,(H,21,22)
InChIKeyPPWFRGNADMSKAI-UHFFFAOYSA-N
XLogP2.20
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9260809
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
3-[[4-(cyanomethyl)phenyl]sulfonylamino]propanoic acid
CID 79185253
N-[4-(cyanomethyl)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 9260903
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18280052
3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2451587
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide (CID 35707657) is N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide is N#CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is PPWFRGNADMSKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c18-14-3-7-16(8-4-14)25(23,24)20-12-10-17(22)21-15-5-1-13(2-6-15)9-11-19/h1-8,20H,9-10,12H2,(H,21,22).
What are the key properties of N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 361.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 35707657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).