N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

C22H29N3O5S2 — CID 24554510

IUPACN-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H29N3O5S2/c1-23-31(27,28)16-20-9-5-4-8-19(20)15-24-22(26)12-13-25-32(29,30)21-11-10-17-6-2-3-7-18(17)14-21/h4-5,8-11,14,23,25H,2-3,6-7,12-13,15-16H2,1H3,(H,24,26)
InChIKeyONXTUCLYBDATOH-UHFFFAOYSA-N
MW479.62 g/mol
LogP1.60
Rot. Bonds10

About N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 24554510) has the molecular formula C22H29N3O5S2 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
PubChem CID24554510
Molecular FormulaC22H29N3O5S2
Molecular Weight479.62 g/mol
Exact Mass479.15
IUPAC NameN-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H29N3O5S2/c1-23-31(27,28)16-20-9-5-4-8-19(20)15-24-22(26)12-13-25-32(29,30)21-11-10-17-6-2-3-7-18(17)14-21/h4-5,8-11,14,23,25H,2-3,6-7,12-13,15-16H2,1H3,(H,24,26)
InChIKeyONXTUCLYBDATOH-UHFFFAOYSA-N
XLogP1.60
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24550352
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-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 39302101
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 46466722
N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24544702
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26542362
N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 26371339
N-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24535951
N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 35984118
2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17408196

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 24554510) is N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is CNS(=O)(=O)Cc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is ONXTUCLYBDATOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S2/c1-23-31(27,28)16-20-9-5-4-8-19(20)15-24-22(26)12-13-25-32(29,30)21-11-10-17-6-2-3-7-18(17)14-21/h4-5,8-11,14,23,25H,2-3,6-7,12-13,15-16H2,1H3,(H,24,26).
What are the key properties of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 479.62 g/mol, XLogP of 1.60, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 24554510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).