N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide

C22H30N2O4S — CID 24980421

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)N(C)CC(=O)Nc2ccc(OCC)c(OCC)c2)sc1C
InChIInChI=1S/C22H30N2O4S/c1-6-9-16-12-20(29-15(16)4)22(26)24(5)14-21(25)23-17-10-11-18(27-7-2)19(13-17)28-8-3/h10-13H,6-9,14H2,1-5H3,(H,23,25)
InChIKeyNBFPGHKSWPSDFP-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.52
Rot. Bonds10

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide (PubChem CID 24980421) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide
PubChem CID24980421
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)N(C)CC(=O)Nc2ccc(OCC)c(OCC)c2)sc1C
InChIInChI=1S/C22H30N2O4S/c1-6-9-16-12-20(29-15(16)4)22(26)24(5)14-21(25)23-17-10-11-18(27-7-2)19(13-17)28-8-3/h10-13H,6-9,14H2,1-5H3,(H,23,25)
InChIKeyNBFPGHKSWPSDFP-UHFFFAOYSA-N
XLogP4.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide (CID 24980421) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)N(C)CC(=O)Nc2ccc(OCC)c(OCC)c2)sc1C.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide?
The InChIKey is NBFPGHKSWPSDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-6-9-16-12-20(29-15(16)4)22(26)24(5)14-21(25)23-17-10-11-18(27-7-2)19(13-17)28-8-3/h10-13H,6-9,14H2,1-5H3,(H,23,25).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 24980421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).