N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide

C15H18Cl2N2OS — CID 126738293

IUPACN-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide
SMILESO=C(CS)NCCCCCn1ccc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H18Cl2N2OS/c16-12-8-11-4-7-19(14(11)9-13(12)17)6-3-1-2-5-18-15(20)10-21/h4,7-9,21H,1-3,5-6,10H2,(H,18,20)
InChIKeyMHKHGVSRGWQPII-UHFFFAOYSA-N
MW345.30 g/mol
LogP4.16
Rot. Bonds7

About N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide

N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide (PubChem CID 126738293) has the molecular formula C15H18Cl2N2OS and a molecular weight of 345.30 g/mol. Its IUPAC name is N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide
PubChem CID126738293
Molecular FormulaC15H18Cl2N2OS
Molecular Weight345.30 g/mol
Exact Mass344.05
IUPAC NameN-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide
SMILESO=C(CS)NCCCCCn1ccc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H18Cl2N2OS/c16-12-8-11-4-7-19(14(11)9-13(12)17)6-3-1-2-5-18-15(20)10-21/h4,7-9,21H,1-3,5-6,10H2,(H,18,20)
InChIKeyMHKHGVSRGWQPII-UHFFFAOYSA-N
XLogP4.16
TPSA34.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide 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-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 384240
(E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-3-(3,4-dichlorophenyl)acrylamide
CID 44296087
N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide
CID 4638493
3-[3-(7-Chloroquinolin-4-ylamino)-propyl]-thiazolidin-4-one
CID 16103205
3-[4-(7-Chloroquinolin-4-ylamino)-butyl]-thiazolidin-4-one
CID 16103225
(E)-N-(4-(4-(1H-indol-3-yl)piperidin-1-yl)butyl)-3-(3,4-dichlorophenyl)acrylamide
CID 44296154
(E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide
CID 44533449
(E)-3-(3,4-dichlorophenyl)-N-[5-[3-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide
CID 44533610
2-sulfanyl-N-[6-(3,5,6-trichloroindol-1-yl)hexyl]acetamide
CID 137649860
N-[6-(6-chloro-5-fluoroindol-1-yl)hexyl]-2-sulfanylacetamide
CID 137653572
N-[5-(5,6-dichloroindol-1-yl)-2-sulfanylpentyl]-2-sulfanylacetamide
CID 137654820
N-[6-(5,6-dichloroindol-1-yl)hexyl]-2-sulfanylacetamide
CID 137661742

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide?
The IUPAC name of N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide (CID 126738293) is N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide?
The canonical SMILES for N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide is O=C(CS)NCCCCCn1ccc2cc(Cl)c(Cl)cc21.
What is the InChIKey of N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide?
The InChIKey is MHKHGVSRGWQPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2OS/c16-12-8-11-4-7-19(14(11)9-13(12)17)6-3-1-2-5-18-15(20)10-21/h4,7-9,21H,1-3,5-6,10H2,(H,18,20).
What are the key properties of N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide?
N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide has a molecular weight of 345.30 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide is sourced from PubChem (CID 126738293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).