N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

C23H29FN2O5S — CID 55796989

IUPACN-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCCCCOc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1
InChIInChI=1S/C23H29FN2O5S/c1-2-3-14-31-19-6-4-18(5-7-19)10-11-25-23(27)21-17-20(8-9-22(21)24)32(28,29)26-12-15-30-16-13-26/h4-9,17H,2-3,10-16H2,1H3,(H,25,27)
InChIKeyXBSIJIJYRPLXOL-UHFFFAOYSA-N
MW464.56 g/mol
LogP3.00
Rot. Bonds10

About N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55796989) has the molecular formula C23H29FN2O5S and a molecular weight of 464.56 g/mol. Its IUPAC name is N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55796989
Molecular FormulaC23H29FN2O5S
Molecular Weight464.56 g/mol
Exact Mass464.18
IUPAC NameN-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCCCCOc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1
InChIInChI=1S/C23H29FN2O5S/c1-2-3-14-31-19-6-4-18(5-7-19)10-11-25-23(27)21-17-20(8-9-22(21)24)32(28,29)26-12-15-30-16-13-26/h4-9,17H,2-3,10-16H2,1H3,(H,25,27)
InChIKeyXBSIJIJYRPLXOL-UHFFFAOYSA-N
XLogP3.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3560058
N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 8833039
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 9402832
2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 4300054
N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 9331335
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9295127
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55478702
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3337199
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 55796989) is N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is CCCCOc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1.
What is the InChIKey of N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XBSIJIJYRPLXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O5S/c1-2-3-14-31-19-6-4-18(5-7-19)10-11-25-23(27)21-17-20(8-9-22(21)24)32(28,29)26-12-15-30-16-13-26/h4-9,17H,2-3,10-16H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 464.56 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55796989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).