N-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide

C19H30N2O2S2 — CID 87273970

IUPACN-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide
SMILESCC(C)(CNC(=O)c1ccccc1O)NCCCCCC1CCSS1
InChIInChI=1S/C19H30N2O2S2/c1-19(2,14-20-18(23)16-9-5-6-10-17(16)22)21-12-7-3-4-8-15-11-13-24-25-15/h5-6,9-10,15,21-22H,3-4,7-8,11-14H2,1-2H3,(H,20,23)
InChIKeyRNMFCXKAVCOPMH-UHFFFAOYSA-N
MW382.60 g/mol
LogP4.20
Rot. Bonds10

About N-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide

N-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide (PubChem CID 87273970) has the molecular formula C19H30N2O2S2 and a molecular weight of 382.60 g/mol. Its IUPAC name is N-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide
PubChem CID87273970
Molecular FormulaC19H30N2O2S2
Molecular Weight382.60 g/mol
Exact Mass382.17
IUPAC NameN-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide
SMILESCC(C)(CNC(=O)c1ccccc1O)NCCCCCC1CCSS1
InChIInChI=1S/C19H30N2O2S2/c1-19(2,14-20-18(23)16-9-5-6-10-17(16)22)21-12-7-3-4-8-15-11-13-24-25-15/h5-6,9-10,15,21-22H,3-4,7-8,11-14H2,1-2H3,(H,20,23)
InChIKeyRNMFCXKAVCOPMH-UHFFFAOYSA-N
XLogP4.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.60
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide (CID 87273970) is N-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide is CC(C)(CNC(=O)c1ccccc1O)NCCCCCC1CCSS1.
What is the InChIKey of N-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide?
The InChIKey is RNMFCXKAVCOPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S2/c1-19(2,14-20-18(23)16-9-5-6-10-17(16)22)21-12-7-3-4-8-15-11-13-24-25-15/h5-6,9-10,15,21-22H,3-4,7-8,11-14H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide?
N-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide has a molecular weight of 382.60 g/mol, XLogP of 4.20, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(dithiolan-3-yl)pentylamino]-2-methylpropyl]-2-hydroxybenzamide is sourced from PubChem (CID 87273970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).