4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C21H26N2O4S — CID 166231657

IUPAC4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCCS(=O)(=O)NCc1ccc(C(=O)N[C@H]2CCCc3ccc(OC)cc32)cc1
InChIInChI=1S/C21H26N2O4S/c1-3-28(25,26)22-14-15-7-9-17(10-8-15)21(24)23-20-6-4-5-16-11-12-18(27-2)13-19(16)20/h7-13,20,22H,3-6,14H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyRGFMRZUVWQOMHY-FQEVSTJZSA-N
MW402.52 g/mol
LogP2.94
Rot. Bonds7

About 4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 166231657) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID166231657
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCCS(=O)(=O)NCc1ccc(C(=O)N[C@H]2CCCc3ccc(OC)cc32)cc1
InChIInChI=1S/C21H26N2O4S/c1-3-28(25,26)22-14-15-7-9-17(10-8-15)21(24)23-20-6-4-5-16-11-12-18(27-2)13-19(16)20/h7-13,20,22H,3-6,14H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyRGFMRZUVWQOMHY-FQEVSTJZSA-N
XLogP2.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46766625
4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide
CID 133202152
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133251974
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
7-methoxy-N-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240012
3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 100626716
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzamide
CID 133200269
4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224
N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113261175
4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95146458
4-methoxy-3-(propylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43873999

Frequently Asked Questions

What is the IUPAC name of 4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 166231657) is 4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is CCS(=O)(=O)NCc1ccc(C(=O)N[C@H]2CCCc3ccc(OC)cc32)cc1.
What is the InChIKey of 4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is RGFMRZUVWQOMHY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-3-28(25,26)22-14-15-7-9-17(10-8-15)21(24)23-20-6-4-5-16-11-12-18(27-2)13-19(16)20/h7-13,20,22H,3-6,14H2,1-2H3,(H,23,24)/t20-/m0/s1.
What are the key properties of 4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 166231657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).