N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide

C17H24N2O3S — CID 98755984

IUPACN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1NS(C)(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-11-3-5-14(9-16(11)19-23(2,21)22)17(20)18-10-15-8-12-4-6-13(15)7-12/h3,5,9,12-13,15,19H,4,6-8,10H2,1-2H3,(H,18,20)/t12-,13-,15-/m0/s1
InChIKeyJCVDKEOJJGQRBS-YDHLFZDLSA-N
MW336.46 g/mol
LogP2.53
Rot. Bonds5

About N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide

N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 98755984) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID98755984
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1NS(C)(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-11-3-5-14(9-16(11)19-23(2,21)22)17(20)18-10-15-8-12-4-6-13(15)7-12/h3,5,9,12-13,15,19H,4,6-8,10H2,1-2H3,(H,18,20)/t12-,13-,15-/m0/s1
InChIKeyJCVDKEOJJGQRBS-YDHLFZDLSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide with MolForge

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-hydroxy-3-methylbenzamide
CID 103956855
1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
CID 112702559
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide
CID 104782928
3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461880
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[3-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]-4-methylphenyl]urea
CID 98153440
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide
CID 63683122
3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 134044129
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(N'-hydroxycarbamimidoyl)benzamide
CID 77017130
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide
CID 63686870
3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide
CID 51078705

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide (CID 98755984) is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1NS(C)(=O)=O.
What is the InChIKey of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is JCVDKEOJJGQRBS-YDHLFZDLSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-11-3-5-14(9-16(11)19-23(2,21)22)17(20)18-10-15-8-12-4-6-13(15)7-12/h3,5,9,12-13,15,19H,4,6-8,10H2,1-2H3,(H,18,20)/t12-,13-,15-/m0/s1.
What are the key properties of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide?
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 336.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 98755984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).