N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

C25H28N2O4S — CID 24653801

IUPACN-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)C(NC(=O)c2cccs2)c2ccccc2)cc1OCC
InChIInChI=1S/C25H28N2O4S/c1-3-30-20-13-12-18(17-21(20)31-4-2)14-15-26-25(29)23(19-9-6-5-7-10-19)27-24(28)22-11-8-16-32-22/h5-13,16-17,23H,3-4,14-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyYNSGSLYMVOZIPB-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.38
Rot. Bonds11

About N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 24653801) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
PubChem CID24653801
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)C(NC(=O)c2cccs2)c2ccccc2)cc1OCC
InChIInChI=1S/C25H28N2O4S/c1-3-30-20-13-12-18(17-21(20)31-4-2)14-15-26-25(29)23(19-9-6-5-7-10-19)27-24(28)22-11-8-16-32-22/h5-13,16-17,23H,3-4,14-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyYNSGSLYMVOZIPB-UHFFFAOYSA-N
XLogP4.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948782
N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
CID 42944393
N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9418935
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 78778592
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24668774
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 8781311
5-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 26851346
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (CID 24653801) is N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is CCOc1ccc(CCNC(=O)C(NC(=O)c2cccs2)c2ccccc2)cc1OCC.
What is the InChIKey of N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is YNSGSLYMVOZIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-3-30-20-13-12-18(17-21(20)31-4-2)14-15-26-25(29)23(19-9-6-5-7-10-19)27-24(28)22-11-8-16-32-22/h5-13,16-17,23H,3-4,14-15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 4.38, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24653801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).