N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide

C26H35N3O3S — CID 4831564

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NC3CCCc4ccccc43)CC2)c1C
InChIInChI=1S/C26H35N3O3S/c1-18-16-19(2)21(4)26(20(18)3)33(31,32)29-14-12-28(13-15-29)17-25(30)27-24-11-7-9-22-8-5-6-10-23(22)24/h5-6,8,10,16,24H,7,9,11-15,17H2,1-4H3,(H,27,30)
InChIKeyAYRZIFAQODTDOL-UHFFFAOYSA-N
MW469.65 g/mol
LogP3.42
Rot. Bonds5

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 4831564) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID4831564
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NC3CCCc4ccccc43)CC2)c1C
InChIInChI=1S/C26H35N3O3S/c1-18-16-19(2)21(4)26(20(18)3)33(31,32)29-14-12-28(13-15-29)17-25(30)27-24-11-7-9-22-8-5-6-10-23(22)24/h5-6,8,10,16,24H,7,9,11-15,17H2,1-4H3,(H,27,30)
InChIKeyAYRZIFAQODTDOL-UHFFFAOYSA-N
XLogP3.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;oxalic acid
CID 11948724
2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41167076
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
2-(4-benzylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4268448
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025031
2-(4-benzyl-1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16618239
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2122910
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55364748
N-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27181214
2-(1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119905959
2-(5-oxo-1,4-diazepan-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 164634917
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30730233

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 4831564) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NC3CCCc4ccccc43)CC2)c1C.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is AYRZIFAQODTDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-18-16-19(2)21(4)26(20(18)3)33(31,32)29-14-12-28(13-15-29)17-25(30)27-24-11-7-9-22-8-5-6-10-23(22)24/h5-6,8,10,16,24H,7,9,11-15,17H2,1-4H3,(H,27,30).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 469.65 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 4831564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).