4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide

C25H30N2O6S — CID 26012135

IUPAC4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1S(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C25H30N2O6S/c1-17-7-3-6-14-27(17)34(29,30)23-15-18(8-10-21(23)31-2)24(28)26-19-9-11-20-22(16-19)33-25(32-20)12-4-5-13-25/h8-11,15-17H,3-7,12-14H2,1-2H3,(H,26,28)/t17-/m0/s1
InChIKeyUYEQOWFQLPVCRL-KRWDZBQOSA-N
MW486.59 g/mol
LogP4.55
Rot. Bonds5

About 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide

4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide (PubChem CID 26012135) has the molecular formula C25H30N2O6S and a molecular weight of 486.59 g/mol. Its IUPAC name is 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
PubChem CID26012135
Molecular FormulaC25H30N2O6S
Molecular Weight486.59 g/mol
Exact Mass486.18
IUPAC Name4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1S(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C25H30N2O6S/c1-17-7-3-6-14-27(17)34(29,30)23-15-18(8-10-21(23)31-2)24(28)26-19-9-11-20-22(16-19)33-25(32-20)12-4-5-13-25/h8-11,15-17H,3-7,12-14H2,1-2H3,(H,26,28)/t17-/m0/s1
InChIKeyUYEQOWFQLPVCRL-KRWDZBQOSA-N
XLogP4.55
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
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
3-(dimethylsulfamoyl)-4-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 46664848
N-(3-chloro-4-fluorophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2683094
N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24656097
4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40647113
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-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
N-(2-chloro-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43009763
N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8839347

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The IUPAC name of 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide (CID 26012135) is 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide.
What is the SMILES notation for 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The canonical SMILES for 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1S(=O)(=O)N1CCCC[C@@H]1C.
What is the InChIKey of 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The InChIKey is UYEQOWFQLPVCRL-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H30N2O6S/c1-17-7-3-6-14-27(17)34(29,30)23-15-18(8-10-21(23)31-2)24(28)26-19-9-11-20-22(16-19)33-25(32-20)12-4-5-13-25/h8-11,15-17H,3-7,12-14H2,1-2H3,(H,26,28)/t17-/m0/s1.
What are the key properties of 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide has a molecular weight of 486.59 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide is sourced from PubChem (CID 26012135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).