N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide

C30H29FN2O5S — CID 178064665

IUPACN-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(-c3ccc(O)cc3)c2)ccc1OCc1cccc(NS(=O)(=O)C(C)C)c1F
InChIInChI=1S/C30H29FN2O5S/c1-19(2)39(36,37)33-27-9-5-8-24(29(27)31)18-38-28-15-12-25(16-20(28)3)32-30(35)23-7-4-6-22(17-23)21-10-13-26(34)14-11-21/h4-17,19,33-34H,18H2,1-3H3,(H,32,35)
InChIKeyYFQGVOPIECOLNU-UHFFFAOYSA-N
MW548.64 g/mol
LogP6.49
Rot. Bonds9

About N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide

N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide (PubChem CID 178064665) has the molecular formula C30H29FN2O5S and a molecular weight of 548.64 g/mol. Its IUPAC name is N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide
PubChem CID178064665
Molecular FormulaC30H29FN2O5S
Molecular Weight548.64 g/mol
Exact Mass548.18
IUPAC NameN-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(-c3ccc(O)cc3)c2)ccc1OCc1cccc(NS(=O)(=O)C(C)C)c1F
InChIInChI=1S/C30H29FN2O5S/c1-19(2)39(36,37)33-27-9-5-8-24(29(27)31)18-38-28-15-12-25(16-20(28)3)32-30(35)23-7-4-6-22(17-23)21-10-13-26(34)14-11-21/h4-17,19,33-34H,18H2,1-3H3,(H,32,35)
InChIKeyYFQGVOPIECOLNU-UHFFFAOYSA-N
XLogP6.49
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.64
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)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

2-[[2-fluoro-3-[[4-[[[3-(4-hydroxyphenyl)benzoyl]amino]methyl]-2-methylphenoxy]methyl]phenyl]sulfamoylmethyl]benzoic acid
CID 178064496
5-[[2-fluoro-3-[[3-[[3-(4-hydroxyphenyl)benzoyl]amino]phenoxy]methyl]phenyl]sulfamoyl]-2-methoxybenzoic acid
CID 178064589
butyl 4-[[3-[[3-(4-hydroxyphenyl)benzoyl]amino]-4-methoxyphenyl]carbamoyl]-2-methylbenzoate
CID 178064575
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide
CID 18672596
N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 70792977
4-[(2,3-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107674089
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 89145903
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide
CID 86845707
N-(3-nitrophenyl)-3-(propan-2-ylsulfonylamino)benzamide
CID 13321986
4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 86938203

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide?
The IUPAC name of N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide (CID 178064665) is N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide?
The canonical SMILES for N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide is Cc1cc(NC(=O)c2cccc(-c3ccc(O)cc3)c2)ccc1OCc1cccc(NS(=O)(=O)C(C)C)c1F.
What is the InChIKey of N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide?
The InChIKey is YFQGVOPIECOLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN2O5S/c1-19(2)39(36,37)33-27-9-5-8-24(29(27)31)18-38-28-15-12-25(16-20(28)3)32-30(35)23-7-4-6-22(17-23)21-10-13-26(34)14-11-21/h4-17,19,33-34H,18H2,1-3H3,(H,32,35).
What are the key properties of N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide?
N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide has a molecular weight of 548.64 g/mol, XLogP of 6.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-fluoro-3-(propan-2-ylsulfonylamino)phenyl]methoxy]-3-methylphenyl]-3-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 178064665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).