N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide

C20H22N2O3S2 — CID 93479142

IUPACN-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc([C@H](c2ccsc2)N2CCOCC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C20H22N2O3S2/c1-2-15-12-16(20(27-15)21-19(23)17-4-3-8-25-17)18(14-5-11-26-13-14)22-6-9-24-10-7-22/h3-5,8,11-13,18H,2,6-7,9-10H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyASJBPJZHJSFABQ-SFHVURJKSA-N
MW402.54 g/mol
LogP4.64
Rot. Bonds6

About N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide

N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 93479142) has the molecular formula C20H22N2O3S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID93479142
Molecular FormulaC20H22N2O3S2
Molecular Weight402.54 g/mol
Exact Mass402.11
IUPAC NameN-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc([C@H](c2ccsc2)N2CCOCC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C20H22N2O3S2/c1-2-15-12-16(20(27-15)21-19(23)17-4-3-8-25-17)18(14-5-11-26-13-14)22-6-9-24-10-7-22/h3-5,8,11-13,18H,2,6-7,9-10H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyASJBPJZHJSFABQ-SFHVURJKSA-N
XLogP4.64
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-ethyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479448
N-[3-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479027
N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479034
N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 46740072
N-[5-ethyl-3-[(S)-(3-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479018
N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93480637
N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740008
N-[5-ethyl-3-[(R)-(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479415
N-[3-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479410
N-[5-ethyl-3-[(R)-(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479417
N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479418
N-[3-[(S)-(3-bromophenyl)-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93478910

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide (CID 93479142) is N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide is CCc1cc([C@H](c2ccsc2)N2CCOCC2)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is ASJBPJZHJSFABQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O3S2/c1-2-15-12-16(20(27-15)21-19(23)17-4-3-8-25-17)18(14-5-11-26-13-14)22-6-9-24-10-7-22/h3-5,8,11-13,18H,2,6-7,9-10H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93479142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).