N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide

C18H26N2O4S — CID 98340039

IUPACN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide
SMILESCN(Cc1ccc(OCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1)S(C)(=O)=O
InChIInChI=1S/C18H26N2O4S/c1-20(25(2,22)23)11-13-4-7-16(8-5-13)24-12-18(21)19-17-10-14-3-6-15(17)9-14/h4-5,7-8,14-15,17H,3,6,9-12H2,1-2H3,(H,19,21)/t14-,15-,17-/m0/s1
InChIKeyCHSRCBKEXPLVCF-ZOBUZTSGSA-N
MW366.48 g/mol
LogP1.76
Rot. Bonds7

About N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide (PubChem CID 98340039) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide
PubChem CID98340039
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide
SMILESCN(Cc1ccc(OCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1)S(C)(=O)=O
InChIInChI=1S/C18H26N2O4S/c1-20(25(2,22)23)11-13-4-7-16(8-5-13)24-12-18(21)19-17-10-14-3-6-15(17)9-14/h4-5,7-8,14-15,17H,3,6,9-12H2,1-2H3,(H,19,21)/t14-,15-,17-/m0/s1
InChIKeyCHSRCBKEXPLVCF-ZOBUZTSGSA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide with MolForge

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Related Compounds

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenoxy)acetamide
CID 18555875
N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide
CID 132668447
2-[benzyl(methylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 125057680
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
CID 880138
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 21173330
3-(2-bicyclo[2.2.1]heptanyl)-1-[(4-ethoxyphenyl)methyl]-1-methylthiourea
CID 42913243
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3-chlorophenoxy)acetamide
CID 98737694
4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide
CID 132660905
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 21368377
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methoxyphenoxy)acetamide
CID 3968254
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methoxyphenoxy)acetamide
CID 124923600
N-(2-bicyclo[2.2.1]heptanyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 133190091

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide?
The IUPAC name of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide (CID 98340039) is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide is CN(Cc1ccc(OCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1)S(C)(=O)=O.
What is the InChIKey of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide?
The InChIKey is CHSRCBKEXPLVCF-ZOBUZTSGSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-20(25(2,22)23)11-13-4-7-16(8-5-13)24-12-18(21)19-17-10-14-3-6-15(17)9-14/h4-5,7-8,14-15,17H,3,6,9-12H2,1-2H3,(H,19,21)/t14-,15-,17-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide?
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide has a molecular weight of 366.48 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 98340039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).