N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide

C26H29FN2O5S — CID 67491415

IUPACN-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide
SMILESCOc1c(NC(=O)c2ccc(F)c(OCc3ccccc3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C26H29FN2O5S/c1-26(2,3)19-14-21(24(33-4)22(15-19)29-35(5,31)32)28-25(30)18-11-12-20(27)23(13-18)34-16-17-9-7-6-8-10-17/h6-15,29H,16H2,1-5H3,(H,28,30)
InChIKeyWZEFFJMAFJEMLE-UHFFFAOYSA-N
MW500.59 g/mol
LogP5.33
Rot. Bonds8

About N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide

N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide (PubChem CID 67491415) has the molecular formula C26H29FN2O5S and a molecular weight of 500.59 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide
PubChem CID67491415
Molecular FormulaC26H29FN2O5S
Molecular Weight500.59 g/mol
Exact Mass500.18
IUPAC NameN-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide
SMILESCOc1c(NC(=O)c2ccc(F)c(OCc3ccccc3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C26H29FN2O5S/c1-26(2,3)19-14-21(24(33-4)22(15-19)29-35(5,31)32)28-25(30)18-11-12-20(27)23(13-18)34-16-17-9-7-6-8-10-17/h6-15,29H,16H2,1-5H3,(H,28,30)
InChIKeyWZEFFJMAFJEMLE-UHFFFAOYSA-N
XLogP5.33
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.59
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-fluoro-4-methyl-5-phenylmethoxybenzamide
CID 67217582
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-phenylmethoxyindole-2-carboxamide
CID 58608271
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-[(2-piperazin-1-yl-2,5-dihydropyrimidin-4-yl)oxy]benzamide
CID 91293116
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-ethynyl-4-methylbenzamide
CID 59495612
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
3-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-2-methylphenyl]-N-phenyl-1,2-dihydrotriazole-5-carboxamide
CID 58784903
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-(4-pyridin-3-yl-4,5-dihydrotriazol-1-yl)benzamide
CID 91312095
tert-butyl 4-[4-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-2-fluorophenoxy]pyrimidin-2-yl]piperazine-1-carboxylate
CID 67491588
3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 134136186
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-methyl-3-[2-(methylamino)pyrimidin-4-yl]oxybenzamide
CID 46181755
tert-butyl [4-[4-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-2-fluorophenoxy]pyrimidin-2-yl]piperazin-1-yl] carbonate
CID 67217445
[5-tert-butyl-2-methoxy-3-(3-phenylmethoxypropylsulfonylamino)phenyl]carbamic acid
CID 121255533

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide?
The IUPAC name of N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide (CID 67491415) is N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide?
The canonical SMILES for N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide is COc1c(NC(=O)c2ccc(F)c(OCc3ccccc3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide?
The InChIKey is WZEFFJMAFJEMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O5S/c1-26(2,3)19-14-21(24(33-4)22(15-19)29-35(5,31)32)28-25(30)18-11-12-20(27)23(13-18)34-16-17-9-7-6-8-10-17/h6-15,29H,16H2,1-5H3,(H,28,30).
What are the key properties of N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide?
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide has a molecular weight of 500.59 g/mol, XLogP of 5.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide is sourced from PubChem (CID 67491415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).