N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C25H33N3O5S — CID 55659114

IUPACN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)NCc2ccnc(OC3CCCC3)c2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C25H33N3O5S/c1-18-7-5-6-14-28(18)34(30,31)23-16-20(10-11-22(23)32-2)25(29)27-17-19-12-13-26-24(15-19)33-21-8-3-4-9-21/h10-13,15-16,18,21H,3-9,14,17H2,1-2H3,(H,27,29)
InChIKeyAHNFBKYJFSSWNO-UHFFFAOYSA-N
MW487.62 g/mol
LogP3.90
Rot. Bonds8

About N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55659114) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55659114
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)NCc2ccnc(OC3CCCC3)c2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C25H33N3O5S/c1-18-7-5-6-14-28(18)34(30,31)23-16-20(10-11-22(23)32-2)25(29)27-17-19-12-13-26-24(15-19)33-21-8-3-4-9-21/h10-13,15-16,18,21H,3-9,14,17H2,1-2H3,(H,27,29)
InChIKeyAHNFBKYJFSSWNO-UHFFFAOYSA-N
XLogP3.90
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55345724
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
N-[(2,4-dimethylphenyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46590934
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442145
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55707761
4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40647113
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7740772
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide
CID 9476438
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24632509

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55659114) is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is COc1ccc(C(=O)NCc2ccnc(OC3CCCC3)c2)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is AHNFBKYJFSSWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-18-7-5-6-14-28(18)34(30,31)23-16-20(10-11-22(23)32-2)25(29)27-17-19-12-13-26-24(15-19)33-21-8-3-4-9-21/h10-13,15-16,18,21H,3-9,14,17H2,1-2H3,(H,27,29).
What are the key properties of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 487.62 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55659114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).