N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide

C28H37Cl2N3O3S — CID 18448522

IUPACN-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide
SMILESCC(C)(C)NCc1ccc2c(c1)CCCC2NC(=O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H37Cl2N3O3S/c1-28(2,3)31-18-19-10-12-23-20(15-19)7-6-9-26(23)32-27(34)16-21-8-4-5-14-33(21)37(35,36)22-11-13-24(29)25(30)17-22/h10-13,15,17,21,26,31H,4-9,14,16,18H2,1-3H3,(H,32,34)
InChIKeyQZMIBDFSEBUSHR-UHFFFAOYSA-N
MW566.60 g/mol
LogP6.01
Rot. Bonds7

About N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide

N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide (PubChem CID 18448522) has the molecular formula C28H37Cl2N3O3S and a molecular weight of 566.60 g/mol. Its IUPAC name is N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide
PubChem CID18448522
Molecular FormulaC28H37Cl2N3O3S
Molecular Weight566.60 g/mol
Exact Mass565.19
IUPAC NameN-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide
SMILESCC(C)(C)NCc1ccc2c(c1)CCCC2NC(=O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H37Cl2N3O3S/c1-28(2,3)31-18-19-10-12-23-20(15-19)7-6-9-26(23)32-27(34)16-21-8-4-5-14-33(21)37(35,36)22-11-13-24(29)25(30)17-22/h10-13,15,17,21,26,31H,4-9,14,16,18H2,1-3H3,(H,32,34)
InChIKeyQZMIBDFSEBUSHR-UHFFFAOYSA-N
XLogP6.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.60
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 11627644
N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 18448623
2-[1-(4-butoxyphenyl)sulfonylpiperidin-2-yl]-N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 18448571
N-[(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2S)-1-(3-cyanophenyl)sulfonylpiperidin-2-yl]acetamide
CID 58841338
2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-2-yl]-N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 18448519
N-[(4R)-7-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]acetamide
CID 58841345
N-[6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]acetamide
CID 18448541
2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 69257437
N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2S,4R)-4-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]acetamide
CID 58841390
N-[6-(1-piperidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]acetamide
CID 18448531
(3S)-N-[(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]butanamide
CID 154112594
2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11714179

Frequently Asked Questions

What is the IUPAC name of N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide?
The IUPAC name of N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide (CID 18448522) is N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide.
What is the SMILES notation for N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide?
The canonical SMILES for N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide is CC(C)(C)NCc1ccc2c(c1)CCCC2NC(=O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide?
The InChIKey is QZMIBDFSEBUSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37Cl2N3O3S/c1-28(2,3)31-18-19-10-12-23-20(15-19)7-6-9-26(23)32-27(34)16-21-8-4-5-14-33(21)37(35,36)22-11-13-24(29)25(30)17-22/h10-13,15,17,21,26,31H,4-9,14,16,18H2,1-3H3,(H,32,34).
What are the key properties of N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide?
N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide has a molecular weight of 566.60 g/mol, XLogP of 6.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]acetamide is sourced from PubChem (CID 18448522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).