4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide

C16H25ClN2OS — CID 112759806

IUPAC4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide
SMILESCCN(CC)CCNC(=O)CCCSc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2OS/c1-3-19(4-2)12-11-18-16(20)6-5-13-21-15-9-7-14(17)8-10-15/h7-10H,3-6,11-13H2,1-2H3,(H,18,20)
InChIKeyLNSHDIOJKNLHOK-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.67
Rot. Bonds10

About 4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide

4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide (PubChem CID 112759806) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide
PubChem CID112759806
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide
SMILESCCN(CC)CCNC(=O)CCCSc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2OS/c1-3-19(4-2)12-11-18-16(20)6-5-13-21-15-9-7-14(17)8-10-15/h7-10H,3-6,11-13H2,1-2H3,(H,18,20)
InChIKeyLNSHDIOJKNLHOK-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)butanamide
CID 43388979
4-(4-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500449
N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
CID 3939091
ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]acetate
CID 60811652
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide
CID 65109878
4-(4-chlorophenyl)sulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 27742915
4-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]butanamide
CID 112792876
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
4-(4-chlorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82726194
N-(2-bromoprop-2-enyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 113227505
4-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3,3-dimethylbutyl]butanamide
CID 96542840
2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide
CID 5036041

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide (CID 112759806) is 4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide is CCN(CC)CCNC(=O)CCCSc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide?
The InChIKey is LNSHDIOJKNLHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2OS/c1-3-19(4-2)12-11-18-16(20)6-5-13-21-15-9-7-14(17)8-10-15/h7-10H,3-6,11-13H2,1-2H3,(H,18,20).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide?
4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide has a molecular weight of 328.91 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide is sourced from PubChem (CID 112759806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).