4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide

C23H28N2O6S — CID 55820947

IUPAC4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)ccc1OC1CCCC1
InChIInChI=1S/C23H28N2O6S/c1-30-22-14-16(8-11-21(22)31-17-6-2-3-7-17)23(27)24-19-15-18(9-10-20(19)26)32(28,29)25-12-4-5-13-25/h8-11,14-15,17,26H,2-7,12-13H2,1H3,(H,24,27)
InChIKeyKFJCSDNXSQOOED-UHFFFAOYSA-N
MW460.55 g/mol
LogP3.76
Rot. Bonds7

About 4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide

4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide (PubChem CID 55820947) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide
PubChem CID55820947
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Name4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)ccc1OC1CCCC1
InChIInChI=1S/C23H28N2O6S/c1-30-22-14-16(8-11-21(22)31-17-6-2-3-7-17)23(27)24-19-15-18(9-10-20(19)26)32(28,29)25-12-4-5-13-25/h8-11,14-15,17,26H,2-7,12-13H2,1H3,(H,24,27)
InChIKeyKFJCSDNXSQOOED-UHFFFAOYSA-N
XLogP3.76
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-4-cyclopentyloxy-3-methoxybenzamide
CID 56581323
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26065662
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
4-cyclopentyloxy-N-(2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 55792810
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 27672653
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 5187446
2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
CID 119218458

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide?
The IUPAC name of 4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide (CID 55820947) is 4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide.
What is the SMILES notation for 4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide?
The canonical SMILES for 4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide is COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)ccc1OC1CCCC1.
What is the InChIKey of 4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide?
The InChIKey is KFJCSDNXSQOOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-30-22-14-16(8-11-21(22)31-17-6-2-3-7-17)23(27)24-19-15-18(9-10-20(19)26)32(28,29)25-12-4-5-13-25/h8-11,14-15,17,26H,2-7,12-13H2,1H3,(H,24,27).
What are the key properties of 4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide?
4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide has a molecular weight of 460.55 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 55820947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).