N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide

C22H20F2N2O3S — CID 24635649

IUPACN-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)c3ccc(F)cc3F)c2)cc1
InChIInChI=1S/C22H20F2N2O3S/c1-14-6-9-19(10-7-14)30(28,29)26-18-5-3-4-16(12-18)22(27)25-15(2)20-11-8-17(23)13-21(20)24/h3-13,15,26H,1-2H3,(H,25,27)
InChIKeyYXROAMSYWMKVGO-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.57
Rot. Bonds6

About N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide

N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 24635649) has the molecular formula C22H20F2N2O3S and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID24635649
Molecular FormulaC22H20F2N2O3S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)c3ccc(F)cc3F)c2)cc1
InChIInChI=1S/C22H20F2N2O3S/c1-14-6-9-19(10-7-14)30(28,29)26-18-5-3-4-16(12-18)22(27)25-15(2)20-11-8-17(23)13-21(20)24/h3-13,15,26H,1-2H3,(H,25,27)
InChIKeyYXROAMSYWMKVGO-UHFFFAOYSA-N
XLogP4.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide 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-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide
CID 56585745
N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 46460775
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591
3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 92676500
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068
N-[3-[1-(2,4-difluorophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55821382
N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 132663234

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 24635649) is N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)c3ccc(F)cc3F)c2)cc1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is YXROAMSYWMKVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S/c1-14-6-9-19(10-7-14)30(28,29)26-18-5-3-4-16(12-18)22(27)25-15(2)20-11-8-17(23)13-21(20)24/h3-13,15,26H,1-2H3,(H,25,27).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 430.48 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 24635649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).