N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide

C18H26ClNO3S — CID 55776242

IUPACN-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide
SMILESCCCCN(C(=O)CCCc1ccc(Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26ClNO3S/c1-2-3-12-20(17-11-13-24(22,23)14-17)18(21)6-4-5-15-7-9-16(19)10-8-15/h7-10,17H,2-6,11-14H2,1H3
InChIKeyDBISUPPMGSVZFD-UHFFFAOYSA-N
MW371.93 g/mol
LogP3.48
Rot. Bonds8

About N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide

N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide (PubChem CID 55776242) has the molecular formula C18H26ClNO3S and a molecular weight of 371.93 g/mol. Its IUPAC name is N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide.

Molecular Properties

Compound NameN-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide
PubChem CID55776242
Molecular FormulaC18H26ClNO3S
Molecular Weight371.93 g/mol
Exact Mass371.13
IUPAC NameN-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide
SMILESCCCCN(C(=O)CCCc1ccc(Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26ClNO3S/c1-2-3-12-20(17-11-13-24(22,23)14-17)18(21)6-4-5-15-7-9-16(19)10-8-15/h7-10,17H,2-6,11-14H2,1H3
InChIKeyDBISUPPMGSVZFD-UHFFFAOYSA-N
XLogP3.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(4-tert-butylphenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 134026792
N-butyl-3-[4-(diethylsulfamoyl)phenyl]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 55508263
5-[butyl-(1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60662219
3-acetamido-N-butyl-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 55508109
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55377281
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 110673907
methyl 3-[[2-(4-chlorophenyl)acetyl]-[(3R)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 39884789
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 55352317
N-[2-(4-chlorophenyl)ethyl]-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108949775
[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 42974894
N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 60938487
[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55321883

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide?
The IUPAC name of N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide (CID 55776242) is N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide.
What is the SMILES notation for N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide?
The canonical SMILES for N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide is CCCCN(C(=O)CCCc1ccc(Cl)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide?
The InChIKey is DBISUPPMGSVZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO3S/c1-2-3-12-20(17-11-13-24(22,23)14-17)18(21)6-4-5-15-7-9-16(19)10-8-15/h7-10,17H,2-6,11-14H2,1H3.
What are the key properties of N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide?
N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide has a molecular weight of 371.93 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide is sourced from PubChem (CID 55776242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).