4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide

C17H24ClNO3S — CID 110417130

IUPAC4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)NCCCC1CCS(=O)(=O)C1
InChIInChI=1S/C17H24ClNO3S/c18-16-8-6-14(7-9-16)3-1-5-17(20)19-11-2-4-15-10-12-23(21,22)13-15/h6-9,15H,1-5,10-13H2,(H,19,20)
InChIKeyOVJUPUXXCKRPRK-UHFFFAOYSA-N
MW357.90 g/mol
LogP2.99
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide

4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide (PubChem CID 110417130) has the molecular formula C17H24ClNO3S and a molecular weight of 357.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide
PubChem CID110417130
Molecular FormulaC17H24ClNO3S
Molecular Weight357.90 g/mol
Exact Mass357.12
IUPAC Name4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)NCCCC1CCS(=O)(=O)C1
InChIInChI=1S/C17H24ClNO3S/c18-16-8-6-14(7-9-16)3-1-5-17(20)19-11-2-4-15-10-12-23(21,22)13-15/h6-9,15H,1-5,10-13H2,(H,19,20)
InChIKeyOVJUPUXXCKRPRK-UHFFFAOYSA-N
XLogP2.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.90
LogP ≤ 52.99
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

N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide
CID 110417136
3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide
CID 110617365
N-[2-(4-chlorophenyl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9268417
N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-thiophen-2-ylpentanamide
CID 110417133
N-[3-(1,1-dioxothiolan-3-yl)propyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110617358
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-phenoxyacetamide
CID 110418906
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
2-chloro-N-[3-(1,1-dioxothiolan-3-yl)propyl]benzamide
CID 110418920
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 110664939
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
N-[3-(1,1-dioxothiolan-3-yl)propyl]-3,3-dimethylbutanamide
CID 110602993

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide (CID 110417130) is 4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide is O=C(CCCc1ccc(Cl)cc1)NCCCC1CCS(=O)(=O)C1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide?
The InChIKey is OVJUPUXXCKRPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3S/c18-16-8-6-14(7-9-16)3-1-5-17(20)19-11-2-4-15-10-12-23(21,22)13-15/h6-9,15H,1-5,10-13H2,(H,19,20).
What are the key properties of 4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide?
4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide has a molecular weight of 357.90 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide is sourced from PubChem (CID 110417130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).