(1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C17H24N2O3S — CID 124824450

IUPAC(1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H24N2O3S/c1-11(13-4-3-5-15(10-13)19-23(2,21)22)18-17(20)16-9-12-6-7-14(16)8-12/h3-5,10-12,14,16,19H,6-9H2,1-2H3,(H,18,20)/t11-,12-,14-,16+/m0/s1
InChIKeyIYBMYHSMNZCTQD-LMRQPLJMSA-N
MW336.46 g/mol
LogP2.67
Rot. Bonds5

About (1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 124824450) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID124824450
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H24N2O3S/c1-11(13-4-3-5-15(10-13)19-23(2,21)22)18-17(20)16-9-12-6-7-14(16)8-12/h3-5,10-12,14,16,19H,6-9H2,1-2H3,(H,18,20)/t11-,12-,14-,16+/m0/s1
InChIKeyIYBMYHSMNZCTQD-LMRQPLJMSA-N
XLogP2.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

(1S,2S,4S)-N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750484
N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3272708
(2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide
CID 138027732
3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 52516223
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide
CID 61310120
N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 71939059
N-[1-(4-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51292830
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 43034290
cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100846917
trans-(1S,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100846919
[4-(methanesulfonamido)phenyl] bicyclo[2.2.1]heptane-2-carboxylate
CID 60528076

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 124824450) is (1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of (1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IYBMYHSMNZCTQD-LMRQPLJMSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-11(13-4-3-5-15(10-13)19-23(2,21)22)18-17(20)16-9-12-6-7-14(16)8-12/h3-5,10-12,14,16,19H,6-9H2,1-2H3,(H,18,20)/t11-,12-,14-,16+/m0/s1.
What are the key properties of (1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 124824450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).