2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide

C19H25FN2O4S — CID 98599209

IUPAC2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H25FN2O4S/c20-17-4-3-16(12-18(17)27(24,25)22-5-7-26-8-6-22)21-19(23)11-15-10-13-1-2-14(15)9-13/h3-4,12-15H,1-2,5-11H2,(H,21,23)/t13-,14-,15+/m0/s1
InChIKeyMOKWGMNWZRTYRF-SOUVJXGZSA-N
MW396.48 g/mol
LogP2.61
Rot. Bonds5

About 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 98599209) has the molecular formula C19H25FN2O4S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID98599209
Molecular FormulaC19H25FN2O4S
Molecular Weight396.48 g/mol
Exact Mass396.15
IUPAC Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H25FN2O4S/c20-17-4-3-16(12-18(17)27(24,25)22-5-7-26-8-6-22)21-19(23)11-15-10-13-1-2-14(15)9-13/h3-4,12-15H,1-2,5-11H2,(H,21,23)/t13-,14-,15+/m0/s1
InChIKeyMOKWGMNWZRTYRF-SOUVJXGZSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide with MolForge

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Related Compounds

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 21174722
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 11915186
2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974368
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide
CID 55605507
2-(4-aminophenyl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119678981
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 11939718
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 11914344
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119265800
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 98606271
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-ylacetamide
CID 18158882

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 98599209) is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide is O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is MOKWGMNWZRTYRF-SOUVJXGZSA-N. The full InChI is InChI=1S/C19H25FN2O4S/c20-17-4-3-16(12-18(17)27(24,25)22-5-7-26-8-6-22)21-19(23)11-15-10-13-1-2-14(15)9-13/h3-4,12-15H,1-2,5-11H2,(H,21,23)/t13-,14-,15+/m0/s1.
What are the key properties of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 396.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 98599209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).