4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide

C16H19ClN2O3S — CID 51162757

IUPAC4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide
SMILESCN(C)C(CNC(=O)CCC(=O)c1ccc(Cl)s1)c1ccco1
InChIInChI=1S/C16H19ClN2O3S/c1-19(2)11(13-4-3-9-22-13)10-18-16(21)8-5-12(20)14-6-7-15(17)23-14/h3-4,6-7,9,11H,5,8,10H2,1-2H3,(H,18,21)
InChIKeyVQFIEEBEGIEYHK-UHFFFAOYSA-N
MW354.86 g/mol
LogP3.38
Rot. Bonds8

About 4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide

4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide (PubChem CID 51162757) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide
PubChem CID51162757
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide
SMILESCN(C)C(CNC(=O)CCC(=O)c1ccc(Cl)s1)c1ccco1
InChIInChI=1S/C16H19ClN2O3S/c1-19(2)11(13-4-3-9-22-13)10-18-16(21)8-5-12(20)14-6-7-15(17)23-14/h3-4,6-7,9,11H,5,8,10H2,1-2H3,(H,18,21)
InChIKeyVQFIEEBEGIEYHK-UHFFFAOYSA-N
XLogP3.38
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 43005118
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110302093
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide
CID 51145123
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 95236001
2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 60662226
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110408494
1-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465992
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110408416
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110621188

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide (CID 51162757) is 4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide is CN(C)C(CNC(=O)CCC(=O)c1ccc(Cl)s1)c1ccco1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide?
The InChIKey is VQFIEEBEGIEYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-19(2)11(13-4-3-9-22-13)10-18-16(21)8-5-12(20)14-6-7-15(17)23-14/h3-4,6-7,9,11H,5,8,10H2,1-2H3,(H,18,21).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide?
4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide has a molecular weight of 354.86 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide is sourced from PubChem (CID 51162757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).