4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide

C20H23ClN2O3S — CID 56511815

IUPAC4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H23ClN2O3S/c1-4-23(13-14-5-7-15(8-6-14)20(26)22(2)3)19(25)12-9-16(24)17-10-11-18(21)27-17/h5-8,10-11H,4,9,12-13H2,1-3H3
InChIKeyXJMZFORPYNJRKU-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.11
Rot. Bonds8

About 4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide

4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide (PubChem CID 56511815) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide
PubChem CID56511815
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H23ClN2O3S/c1-4-23(13-14-5-7-15(8-6-14)20(26)22(2)3)19(25)12-9-16(24)17-10-11-18(21)27-17/h5-8,10-11H,4,9,12-13H2,1-3H3
InChIKeyXJMZFORPYNJRKU-UHFFFAOYSA-N
XLogP4.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide
CID 78785121
4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55347528
1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one
CID 79017302
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylthiophene-2-carboxamide
CID 30480240
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
1-(5-chlorothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;ethane
CID 144689529
4-[[4-(1,3-benzothiazol-2-yl)butanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56512435
3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902
4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56511531
N-[(2-chlorophenyl)methyl]-N-ethyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55636728
4-(5-chlorothiophen-2-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-oxobutanamide
CID 55369935
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 9480604

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide (CID 56511815) is 4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide?
The InChIKey is XJMZFORPYNJRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-4-23(13-14-5-7-15(8-6-14)20(26)22(2)3)19(25)12-9-16(24)17-10-11-18(21)27-17/h5-8,10-11H,4,9,12-13H2,1-3H3.
What are the key properties of 4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide?
4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide has a molecular weight of 406.94 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 56511815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).