N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C22H26FN3O5S — CID 24656097

IUPACN-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C22H26FN3O5S/c1-14-6-4-5-11-26(14)32(29,30)21-12-16(7-10-20(21)31-3)22(28)25-17-8-9-18(23)19(13-17)24-15(2)27/h7-10,12-14H,4-6,11H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyKJNDQXCZFLOTDM-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.61
Rot. Bonds6

About N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 24656097) has the molecular formula C22H26FN3O5S and a molecular weight of 463.53 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID24656097
Molecular FormulaC22H26FN3O5S
Molecular Weight463.53 g/mol
Exact Mass463.16
IUPAC NameN-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C22H26FN3O5S/c1-14-6-4-5-11-26(14)32(29,30)21-12-16(7-10-20(21)31-3)22(28)25-17-8-9-18(23)19(13-17)24-15(2)27/h7-10,12-14H,4-6,11H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyKJNDQXCZFLOTDM-UHFFFAOYSA-N
XLogP3.61
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
N-(3-chloro-4-fluorophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2683094
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4794100
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40647113
N-(2-chloro-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43009763
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26012135
N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24685961
4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496296
N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8839347
N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4799810
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 24656097) is N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is COc1ccc(C(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is KJNDQXCZFLOTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O5S/c1-14-6-4-5-11-26(14)32(29,30)21-12-16(7-10-20(21)31-3)22(28)25-17-8-9-18(23)19(13-17)24-15(2)27/h7-10,12-14H,4-6,11H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 463.53 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 24656097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).