N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

C19H29N3O4S — CID 24550352

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCC(C)(C)NC(=O)CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H29N3O4S/c1-19(2,3)22-18(24)13-20-17(23)10-11-21-27(25,26)16-9-8-14-6-4-5-7-15(14)12-16/h8-9,12,21H,4-7,10-11,13H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyUAHBVKUHCFAIMX-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.26
Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 24550352) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
PubChem CID24550352
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCC(C)(C)NC(=O)CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H29N3O4S/c1-19(2,3)22-18(24)13-20-17(23)10-11-21-27(25,26)16-9-8-14-6-4-5-7-15(14)12-16/h8-9,12,21H,4-7,10-11,13H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyUAHBVKUHCFAIMX-UHFFFAOYSA-N
XLogP1.26
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 24544389
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24554510
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55975923
N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24544702
N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 119567689
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 46466722
N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 26371339
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 39302101

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 24550352) is N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is CC(C)(C)NC(=O)CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is UAHBVKUHCFAIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-19(2,3)22-18(24)13-20-17(23)10-11-21-27(25,26)16-9-8-14-6-4-5-7-15(14)12-16/h8-9,12,21H,4-7,10-11,13H2,1-3H3,(H,20,23)(H,22,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 395.53 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 24550352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).