N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide

C30H42N4O6S2 — CID 5172520

IUPACN,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CCCCC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H42N4O6S2/c1-23-15-19-33(20-16-23)41(37,38)27-11-7-25(8-12-27)31-29(35)5-3-4-6-30(36)32-26-9-13-28(14-10-26)42(39,40)34-21-17-24(2)18-22-34/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyCHMCYFYTIFTYTK-UHFFFAOYSA-N
MW618.82 g/mol
LogP4.67
Rot. Bonds11

About N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide

N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide (PubChem CID 5172520) has the molecular formula C30H42N4O6S2 and a molecular weight of 618.82 g/mol. Its IUPAC name is N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
PubChem CID5172520
Molecular FormulaC30H42N4O6S2
Molecular Weight618.82 g/mol
Exact Mass618.25
IUPAC NameN,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CCCCC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H42N4O6S2/c1-23-15-19-33(20-16-23)41(37,38)27-11-7-25(8-12-27)31-29(35)5-3-4-6-30(36)32-26-9-13-28(14-10-26)42(39,40)34-21-17-24(2)18-22-34/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyCHMCYFYTIFTYTK-UHFFFAOYSA-N
XLogP4.67
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.82
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 2976005
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 9428151
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066641
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ylacetamide
CID 1071220
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 6971312
2-(4-methylpiperidin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7471841
2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 9492775
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide
CID 7368663

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide?
The IUPAC name of N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide (CID 5172520) is N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide.
What is the SMILES notation for N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide?
The canonical SMILES for N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCCCC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2)CC1.
What is the InChIKey of N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide?
The InChIKey is CHMCYFYTIFTYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O6S2/c1-23-15-19-33(20-16-23)41(37,38)27-11-7-25(8-12-27)31-29(35)5-3-4-6-30(36)32-26-9-13-28(14-10-26)42(39,40)34-21-17-24(2)18-22-34/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide?
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide has a molecular weight of 618.82 g/mol, XLogP of 4.67, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide is sourced from PubChem (CID 5172520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).