N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

C22H28N2O3S — CID 24544702

IUPACN-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCc1ccccc1C(C)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H28N2O3S/c1-16-7-3-6-10-21(16)17(2)24-22(25)13-14-23-28(26,27)20-12-11-18-8-4-5-9-19(18)15-20/h3,6-7,10-12,15,17,23H,4-5,8-9,13-14H2,1-2H3,(H,24,25)
InChIKeyNFXSVCXEMONREL-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.42
Rot. Bonds7

About N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 24544702) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
PubChem CID24544702
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCc1ccccc1C(C)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H28N2O3S/c1-16-7-3-6-10-21(16)17(2)24-22(25)13-14-23-28(26,27)20-12-11-18-8-4-5-9-19(18)15-20/h3,6-7,10-12,15,17,23H,4-5,8-9,13-14H2,1-2H3,(H,24,25)
InChIKeyNFXSVCXEMONREL-UHFFFAOYSA-N
XLogP3.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55436294
3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51149160
N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 47027647
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanamide
CID 86886275
N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43036913
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24575388
N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24550352
[(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
CID 7829793
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24554510
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112990740
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 24544702) is N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is Cc1ccccc1C(C)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is NFXSVCXEMONREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-7-3-6-10-21(16)17(2)24-22(25)13-14-23-28(26,27)20-12-11-18-8-4-5-9-19(18)15-20/h3,6-7,10-12,15,17,23H,4-5,8-9,13-14H2,1-2H3,(H,24,25).
What are the key properties of N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 400.54 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 24544702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).