3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide

C22H27FN2O5S — CID 46530018

IUPAC3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1F
InChIInChI=1S/C22H27FN2O5S/c1-14(15-8-10-19(29-2)18(23)12-15)24-22(26)16-9-11-20(30-3)21(13-16)31(27,28)25-17-6-4-5-7-17/h8-14,17,25H,4-7H2,1-3H3,(H,24,26)
InChIKeyVCNZMJDFTDESNL-UHFFFAOYSA-N
MW450.53 g/mol
LogP3.55
Rot. Bonds8

About 3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide

3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide (PubChem CID 46530018) has the molecular formula C22H27FN2O5S and a molecular weight of 450.53 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide
PubChem CID46530018
Molecular FormulaC22H27FN2O5S
Molecular Weight450.53 g/mol
Exact Mass450.16
IUPAC Name3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1F
InChIInChI=1S/C22H27FN2O5S/c1-14(15-8-10-19(29-2)18(23)12-15)24-22(26)16-9-11-20(30-3)21(13-16)31(27,28)25-17-6-4-5-7-17/h8-14,17,25H,4-7H2,1-3H3,(H,24,26)
InChIKeyVCNZMJDFTDESNL-UHFFFAOYSA-N
XLogP3.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 27739768
3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 55619767
3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18163128
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119586321
(2S)-2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-3-methylbutanoic acid
CID 119360553
3-(cyclopropylsulfamoyl)-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9453559
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 47010316
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide (CID 46530018) is 3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1F.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is VCNZMJDFTDESNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O5S/c1-14(15-8-10-19(29-2)18(23)12-15)24-22(26)16-9-11-20(30-3)21(13-16)31(27,28)25-17-6-4-5-7-17/h8-14,17,25H,4-7H2,1-3H3,(H,24,26).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide?
3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide has a molecular weight of 450.53 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 46530018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).