N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide

C22H22Cl2N2O3S — CID 93480637

IUPACN-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc([C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C22H22Cl2N2O3S/c1-2-15-13-17(22(30-15)25-21(27)19-4-3-9-29-19)20(26-7-10-28-11-8-26)16-6-5-14(23)12-18(16)24/h3-6,9,12-13,20H,2,7-8,10-11H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyJPTIHDAHDCQFGA-HXUWFJFHSA-N
MW465.40 g/mol
LogP5.88
Rot. Bonds6

About N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide

N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 93480637) has the molecular formula C22H22Cl2N2O3S and a molecular weight of 465.40 g/mol. Its IUPAC name is N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
PubChem CID93480637
Molecular FormulaC22H22Cl2N2O3S
Molecular Weight465.40 g/mol
Exact Mass464.07
IUPAC NameN-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc([C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C22H22Cl2N2O3S/c1-2-15-13-17(22(30-15)25-21(27)19-4-3-9-29-19)20(26-7-10-28-11-8-26)16-6-5-14(23)12-18(16)24/h3-6,9,12-13,20H,2,7-8,10-11H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyJPTIHDAHDCQFGA-HXUWFJFHSA-N
XLogP5.88
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.40
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 46740072
N-[3-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479027
N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479142
N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479034
N-[5-ethyl-3-[(S)-(3-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479018
N-[3-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479410
N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479437
N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740131
N-[5-ethyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479448
N-[5-ethyl-3-[(R)-(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479415
N-[5-ethyl-3-[(S)-(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479250
N-[3-[(S)-(2,4-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479516

Frequently Asked Questions

What is the IUPAC name of N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (CID 93480637) is N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is CCc1cc([C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is JPTIHDAHDCQFGA-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22Cl2N2O3S/c1-2-15-13-17(22(30-15)25-21(27)19-4-3-9-29-19)20(26-7-10-28-11-8-26)16-6-5-14(23)12-18(16)24/h3-6,9,12-13,20H,2,7-8,10-11H2,1H3,(H,25,27)/t20-/m1/s1.
What are the key properties of N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 465.40 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93480637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).