N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide

C20H26ClN3O2S — CID 42945538

IUPACN-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCC(=O)NCC(c2ccccc2Cl)N(C)C)cc1C
InChIInChI=1S/C20H26ClN3O2S/c1-5-17-13(2)10-18(27-17)20(26)23-12-19(25)22-11-16(24(3)4)14-8-6-7-9-15(14)21/h6-10,16H,5,11-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyACWVDEWDNZBDAB-UHFFFAOYSA-N
MW407.97 g/mol
LogP3.42
Rot. Bonds8

About N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide

N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 42945538) has the molecular formula C20H26ClN3O2S and a molecular weight of 407.97 g/mol. Its IUPAC name is N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID42945538
Molecular FormulaC20H26ClN3O2S
Molecular Weight407.97 g/mol
Exact Mass407.14
IUPAC NameN-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCC(=O)NCC(c2ccccc2Cl)N(C)C)cc1C
InChIInChI=1S/C20H26ClN3O2S/c1-5-17-13(2)10-18(27-17)20(26)23-12-19(25)22-11-16(24(3)4)14-8-6-7-9-15(14)21/h6-10,16H,5,11-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyACWVDEWDNZBDAB-UHFFFAOYSA-N
XLogP3.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 42945538) is N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)NCC(=O)NCC(c2ccccc2Cl)N(C)C)cc1C.
What is the InChIKey of N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is ACWVDEWDNZBDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2S/c1-5-17-13(2)10-18(27-17)20(26)23-12-19(25)22-11-16(24(3)4)14-8-6-7-9-15(14)21/h6-10,16H,5,11-12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 407.97 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 42945538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).