N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide

C24H23Cl2NO5S — CID 165166271

IUPACN-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(Oc2c(Cl)cc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc2Cl)cc1C(C)C
InChIInChI=1S/C24H23Cl2NO5S/c1-14(2)19-13-17(8-9-22(19)31-3)32-23-20(25)11-16(12-21(23)26)27-24(28)15-6-5-7-18(10-15)33(4,29)30/h5-14H,1-4H3,(H,27,28)
InChIKeyBGHBANVYBVUYFS-UHFFFAOYSA-N
MW508.42 g/mol
LogP6.57
Rot. Bonds7

About N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide

N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide (PubChem CID 165166271) has the molecular formula C24H23Cl2NO5S and a molecular weight of 508.42 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide
PubChem CID165166271
Molecular FormulaC24H23Cl2NO5S
Molecular Weight508.42 g/mol
Exact Mass507.07
IUPAC NameN-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(Oc2c(Cl)cc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc2Cl)cc1C(C)C
InChIInChI=1S/C24H23Cl2NO5S/c1-14(2)19-13-17(8-9-22(19)31-3)32-23-20(25)11-16(12-21(23)26)27-24(28)15-6-5-7-18(10-15)33(4,29)30/h5-14H,1-4H3,(H,27,28)
InChIKeyBGHBANVYBVUYFS-UHFFFAOYSA-N
XLogP6.57
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.42
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-(4-methylsulfonylphenyl)propan-1-one
CID 167644644
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
CID 2668918
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 41277485
3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)aniline;N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]carbamoyl chloride;2-methylsulfonylethanol;2-methylsulfonylethyl N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]carbamate
CID 167607980
(2-cyano-2-methylpropyl) N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]carbamate
CID 155781774
3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide
CID 31301682
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide
CID 155781888
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide
CID 165166248
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-methylsulfonylbenzamide
CID 47063310
N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide
CID 24667859
N-[2-chloro-4-[2-(4-methylphenoxy)propanoylamino]phenyl]-3-methylsulfonylbenzamide
CID 24667792
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide (CID 165166271) is N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide is COc1ccc(Oc2c(Cl)cc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc2Cl)cc1C(C)C.
What is the InChIKey of N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide?
The InChIKey is BGHBANVYBVUYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO5S/c1-14(2)19-13-17(8-9-22(19)31-3)32-23-20(25)11-16(12-21(23)26)27-24(28)15-6-5-7-18(10-15)33(4,29)30/h5-14H,1-4H3,(H,27,28).
What are the key properties of N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide?
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide has a molecular weight of 508.42 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 165166271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).