3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide

C21H22F2N2O4S — CID 112816229

IUPAC3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1
InChIInChI=1S/C21H22F2N2O4S/c1-14(26)15-3-8-19(9-4-15)30(28,29)24-11-10-21(27)25(18-6-7-18)13-16-2-5-17(22)12-20(16)23/h2-5,8-9,12,18,24H,6-7,10-11,13H2,1H3
InChIKeyXVRFXPSSDHXAGG-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.03
Rot. Bonds9

About 3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide (PubChem CID 112816229) has the molecular formula C21H22F2N2O4S and a molecular weight of 436.48 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
PubChem CID112816229
Molecular FormulaC21H22F2N2O4S
Molecular Weight436.48 g/mol
Exact Mass436.13
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1
InChIInChI=1S/C21H22F2N2O4S/c1-14(26)15-3-8-19(9-4-15)30(28,29)24-11-10-21(27)25(18-6-7-18)13-16-2-5-17(22)12-20(16)23/h2-5,8-9,12,18,24H,6-7,10-11,13H2,1H3
InChIKeyXVRFXPSSDHXAGG-UHFFFAOYSA-N
XLogP3.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26426569
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
3-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441195
N-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 55437911
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 60938567
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 47017544
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 29304699
3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
CID 54870409
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide
CID 62838323
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 112816231
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide (CID 112816229) is 3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide?
The InChIKey is XVRFXPSSDHXAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O4S/c1-14(26)15-3-8-19(9-4-15)30(28,29)24-11-10-21(27)25(18-6-7-18)13-16-2-5-17(22)12-20(16)23/h2-5,8-9,12,18,24H,6-7,10-11,13H2,1H3.
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide?
3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide has a molecular weight of 436.48 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide is sourced from PubChem (CID 112816229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).