N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

C26H36N4O3S — CID 39302101

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H36N4O3S/c31-26(12-13-28-34(32,33)25-11-10-23-8-4-5-9-24(23)20-25)27-14-15-29-16-18-30(19-17-29)21-22-6-2-1-3-7-22/h1-3,6-7,10-11,20,28H,4-5,8-9,12-19,21H2,(H,27,31)
InChIKeySGNGHINHHUEWKT-UHFFFAOYSA-N
MW484.67 g/mol
LogP2.17
Rot. Bonds10

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 39302101) has the molecular formula C26H36N4O3S and a molecular weight of 484.67 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
PubChem CID39302101
Molecular FormulaC26H36N4O3S
Molecular Weight484.67 g/mol
Exact Mass484.25
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H36N4O3S/c31-26(12-13-28-34(32,33)25-11-10-23-8-4-5-9-24(23)20-25)27-14-15-29-16-18-30(19-17-29)21-22-6-2-1-3-7-22/h1-3,6-7,10-11,20,28H,4-5,8-9,12-19,21H2,(H,27,31)
InChIKeySGNGHINHHUEWKT-UHFFFAOYSA-N
XLogP2.17
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 39302121
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 46466722
3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 18119432
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 24544389
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26531885
N-benzyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxamide
CID 31588092
N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55766803
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 26535228
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24554510

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 39302101) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is SGNGHINHHUEWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3S/c31-26(12-13-28-34(32,33)25-11-10-23-8-4-5-9-24(23)20-25)27-14-15-29-16-18-30(19-17-29)21-22-6-2-1-3-7-22/h1-3,6-7,10-11,20,28H,4-5,8-9,12-19,21H2,(H,27,31).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 484.67 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 39302101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).