5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide

C20H25ClN2O4S — CID 78824940

IUPAC5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
SMILESCN(C)CCCN(C(=O)c1ccc(-c2ccccc2Cl)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H25ClN2O4S/c1-22(2)11-5-12-23(15-10-13-28(25,26)14-15)20(24)19-9-8-18(27-19)16-6-3-4-7-17(16)21/h3-4,6-9,15H,5,10-14H2,1-2H3
InChIKeyONYHHWLJELTJIH-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.18
Rot. Bonds7

About 5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide

5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide (PubChem CID 78824940) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
PubChem CID78824940
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
SMILESCN(C)CCCN(C(=O)c1ccc(-c2ccccc2Cl)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H25ClN2O4S/c1-22(2)11-5-12-23(15-10-13-28(25,26)14-15)20(24)19-9-8-18(27-19)16-6-3-4-7-17(16)21/h3-4,6-9,15H,5,10-14H2,1-2H3
InChIKeyONYHHWLJELTJIH-UHFFFAOYSA-N
XLogP3.18
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 8011479
2-bromo-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 78824875
4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide
CID 78869791
5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide
CID 70748000
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-4-(phenylsulfanylmethyl)benzamide
CID 78819618
5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35346467
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-4-phenoxybenzamide
CID 78819601
5-bromo-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-3-carboxamide
CID 78851999
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide
CID 78840941
5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide
CID 133112296
1-[3-(dimethylamino)propyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-methoxyphenyl)urea
CID 40797086
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-phenyltriazole-4-carboxamide
CID 78859501

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide (CID 78824940) is 5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide is CN(C)CCCN(C(=O)c1ccc(-c2ccccc2Cl)o1)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The InChIKey is ONYHHWLJELTJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-22(2)11-5-12-23(15-10-13-28(25,26)14-15)20(24)19-9-8-18(27-19)16-6-3-4-7-17(16)21/h3-4,6-9,15H,5,10-14H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide?
5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide has a molecular weight of 424.95 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 78824940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).