N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide

C23H29Cl2N3O5S — CID 165166248

IUPACN-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide
SMILESCOc1ccc(Oc2c(Cl)cc(NC(=O)CC3CCCN(S(N)(=O)=O)C3)cc2Cl)cc1C(C)C
InChIInChI=1S/C23H29Cl2N3O5S/c1-14(2)18-12-17(6-7-21(18)32-3)33-23-19(24)10-16(11-20(23)25)27-22(29)9-15-5-4-8-28(13-15)34(26,30)31/h6-7,10-12,14-15H,4-5,8-9,13H2,1-3H3,(H,27,29)(H2,26,30,31)
InChIKeyBKTSFRUVYBNDKV-UHFFFAOYSA-N
MW530.47 g/mol
LogP5.16
Rot. Bonds8

About N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide

N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide (PubChem CID 165166248) has the molecular formula C23H29Cl2N3O5S and a molecular weight of 530.47 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide
PubChem CID165166248
Molecular FormulaC23H29Cl2N3O5S
Molecular Weight530.47 g/mol
Exact Mass529.12
IUPAC NameN-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide
SMILESCOc1ccc(Oc2c(Cl)cc(NC(=O)CC3CCCN(S(N)(=O)=O)C3)cc2Cl)cc1C(C)C
InChIInChI=1S/C23H29Cl2N3O5S/c1-14(2)18-12-17(6-7-21(18)32-3)33-23-19(24)10-16(11-20(23)25)27-22(29)9-15-5-4-8-28(13-15)34(26,30)31/h6-7,10-12,14-15H,4-5,8-9,13H2,1-3H3,(H,27,29)(H2,26,30,31)
InChIKeyBKTSFRUVYBNDKV-UHFFFAOYSA-N
XLogP5.16
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.47
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide
CID 155781888
2-(1-cyclopropylsulfonylpiperidin-4-yl)-N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]acetamide
CID 155781904
N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 165166285
2-amino-N-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142030863
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfinylpyrazol-4-yl)acetamide
CID 155781809
(2-cyano-2-methylpropyl) N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]carbamate
CID 155781774
2,4-dichloro-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
CID 155781681
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110859521
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
3-[3,5-dichloro-4-[3-(cyclopentylmethylsulfonyl)-4-hydroxyphenoxy]anilino]-3-oxopropanoic acid
CID 69261317
N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 155781683
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110859529

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide?
The IUPAC name of N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide (CID 165166248) is N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide.
What is the SMILES notation for N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide?
The canonical SMILES for N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide is COc1ccc(Oc2c(Cl)cc(NC(=O)CC3CCCN(S(N)(=O)=O)C3)cc2Cl)cc1C(C)C.
What is the InChIKey of N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide?
The InChIKey is BKTSFRUVYBNDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3O5S/c1-14(2)18-12-17(6-7-21(18)32-3)33-23-19(24)10-16(11-20(23)25)27-22(29)9-15-5-4-8-28(13-15)34(26,30)31/h6-7,10-12,14-15H,4-5,8-9,13H2,1-3H3,(H,27,29)(H2,26,30,31).
What are the key properties of N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide?
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide has a molecular weight of 530.47 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 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]-2-(1-sulfamoylpiperidin-3-yl)acetamide is sourced from PubChem (CID 165166248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).