N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide

C18H21ClN2OS — CID 129189700

IUPACN-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide
SMILESNc1cccc(NC(=O)CCCCCSc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2OS/c19-14-6-4-9-17(12-14)23-11-3-1-2-10-18(22)21-16-8-5-7-15(20)13-16/h4-9,12-13H,1-3,10-11,20H2,(H,21,22)
InChIKeyHEZFTBHASZRSMH-UHFFFAOYSA-N
MW348.90 g/mol
LogP5.21
Rot. Bonds8

About N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide

N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide (PubChem CID 129189700) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide
PubChem CID129189700
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC NameN-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide
SMILESNc1cccc(NC(=O)CCCCCSc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2OS/c19-14-6-4-9-17(12-14)23-11-3-1-2-10-18(22)21-16-8-5-7-15(20)13-16/h4-9,12-13H,1-3,10-11,20H2,(H,21,22)
InChIKeyHEZFTBHASZRSMH-UHFFFAOYSA-N
XLogP5.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.90
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide
CID 129189699
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
4-(2-amino-2-oxoethyl)sulfanyl-N-(3-aminophenyl)butanamide
CID 114231287
3-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)propanamide
CID 62647174
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836
N-(3-aminophenyl)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63697630
3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43303444
N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide
CID 129189701
N-(2-amino-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 28546369
3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43249034
ethyl 4-(3-chlorophenyl)sulfanylbutanoate
CID 117058890
N-(3-aminophenyl)-4-cyclobutyloxybutanamide
CID 62116624

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide?
The IUPAC name of N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide (CID 129189700) is N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide.
What is the SMILES notation for N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide?
The canonical SMILES for N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide is Nc1cccc(NC(=O)CCCCCSc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide?
The InChIKey is HEZFTBHASZRSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c19-14-6-4-9-17(12-14)23-11-3-1-2-10-18(22)21-16-8-5-7-15(20)13-16/h4-9,12-13H,1-3,10-11,20H2,(H,21,22).
What are the key properties of N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide?
N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide has a molecular weight of 348.90 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide is sourced from PubChem (CID 129189700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).