N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide

C18H20FN3O3S — CID 17478192

IUPACN-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide
SMILESCC(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)NC1CC1
InChIInChI=1S/C18H20FN3O3S/c1-12(18(23)21-15-4-5-15)20-14-6-8-16(9-7-14)22-26(24,25)17-10-2-13(19)3-11-17/h2-3,6-12,15,20,22H,4-5H2,1H3,(H,21,23)
InChIKeyOLYNOYCYSASVPH-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.71
Rot. Bonds7

About N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide

N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide (PubChem CID 17478192) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide
PubChem CID17478192
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC NameN-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide
SMILESCC(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)NC1CC1
InChIInChI=1S/C18H20FN3O3S/c1-12(18(23)21-15-4-5-15)20-14-6-8-16(9-7-14)22-26(24,25)17-10-2-13(19)3-11-17/h2-3,6-12,15,20,22H,4-5H2,1H3,(H,21,23)
InChIKeyOLYNOYCYSASVPH-UHFFFAOYSA-N
XLogP2.71
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide
CID 47145467
N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001
(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41153856
(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide
CID 41153855
4-[(4-fluorophenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387628
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27537411
4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
CID 30935060
N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 55511040
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652
N-cyclopentyl-4-[[4-[(1S)-1-hydroxyethyl]phenyl]sulfonylamino]benzamide
CID 41105553

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide (CID 17478192) is N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide is CC(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide?
The InChIKey is OLYNOYCYSASVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-12(18(23)21-15-4-5-15)20-14-6-8-16(9-7-14)22-26(24,25)17-10-2-13(19)3-11-17/h2-3,6-12,15,20,22H,4-5H2,1H3,(H,21,23).
What are the key properties of N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide?
N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide has a molecular weight of 377.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide is sourced from PubChem (CID 17478192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).