N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide

C30H42N4O8S2 — CID 17080112

IUPACN,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
SMILESO=C(CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C30H42N4O8S2/c35-29(31-25-9-13-27(14-10-25)43(37,38)33-17-21-41-22-18-33)7-5-3-1-2-4-6-8-30(36)32-26-11-15-28(16-12-26)44(39,40)34-19-23-42-24-20-34/h9-16H,1-8,17-24H2,(H,31,35)(H,32,36)
InChIKeyQISNJSJIHVOVPQ-UHFFFAOYSA-N
MW650.82 g/mol
LogP3.43
Rot. Bonds15

About N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide

N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide (PubChem CID 17080112) has the molecular formula C30H42N4O8S2 and a molecular weight of 650.82 g/mol. Its IUPAC name is N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide.

Molecular Properties

Compound NameN,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
PubChem CID17080112
Molecular FormulaC30H42N4O8S2
Molecular Weight650.82 g/mol
Exact Mass650.24
IUPAC NameN,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
SMILESO=C(CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C30H42N4O8S2/c35-29(31-25-9-13-27(14-10-25)43(37,38)33-17-21-41-22-18-33)7-5-3-1-2-4-6-8-30(36)32-26-11-15-28(16-12-26)44(39,40)34-19-23-42-24-20-34/h9-16H,1-8,17-24H2,(H,31,35)(H,32,36)
InChIKeyQISNJSJIHVOVPQ-UHFFFAOYSA-N
XLogP3.43
TPSA151.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.82
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
CID 4643270
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 108800691
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
7-amino-N-(3-morpholin-4-ylsulfonylphenyl)heptanamide
CID 119671799
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide?
The IUPAC name of N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide (CID 17080112) is N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide.
What is the SMILES notation for N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide?
The canonical SMILES for N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide is O=C(CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide?
The InChIKey is QISNJSJIHVOVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O8S2/c35-29(31-25-9-13-27(14-10-25)43(37,38)33-17-21-41-22-18-33)7-5-3-1-2-4-6-8-30(36)32-26-11-15-28(16-12-26)44(39,40)34-19-23-42-24-20-34/h9-16H,1-8,17-24H2,(H,31,35)(H,32,36).
What are the key properties of N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide?
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide has a molecular weight of 650.82 g/mol, XLogP of 3.43, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide is sourced from PubChem (CID 17080112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).