N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide

C27H34N2O5S — CID 4825625

IUPACN-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1cc(C(c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCOCC2)ccc1OCC(C)C
InChIInChI=1S/C27H34N2O5S/c1-17(2)16-34-21-9-8-20(15-23(21)31-5)25(29-10-13-32-14-11-29)24-18(3)19(4)35-27(24)28-26(30)22-7-6-12-33-22/h6-9,12,15,17,25H,10-11,13-14,16H2,1-5H3,(H,28,30)
InChIKeyWMMUELOJTXDCQJ-UHFFFAOYSA-N
MW498.65 g/mol
LogP5.68
Rot. Bonds9

About N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide

N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 4825625) has the molecular formula C27H34N2O5S and a molecular weight of 498.65 g/mol. Its IUPAC name is N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
PubChem CID4825625
Molecular FormulaC27H34N2O5S
Molecular Weight498.65 g/mol
Exact Mass498.22
IUPAC NameN-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1cc(C(c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCOCC2)ccc1OCC(C)C
InChIInChI=1S/C27H34N2O5S/c1-17(2)16-34-21-9-8-20(15-23(21)31-5)25(29-10-13-32-14-11-29)24-18(3)19(4)35-27(24)28-26(30)22-7-6-12-33-22/h6-9,12,15,17,25H,10-11,13-14,16H2,1-5H3,(H,28,30)
InChIKeyWMMUELOJTXDCQJ-UHFFFAOYSA-N
XLogP5.68
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1416593
N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
CID 93479629
N-[4,5-dimethyl-3-[morpholin-4-yl(pyridin-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 3856176
N-[3-[(S)-(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 93479105
N-[3-[(S)-(3,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 93479479
N-[3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740002
N-[3-[(S)-(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
CID 93478968
N-[3-[(R)-(3,4-dimethoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 93479298
N-[3-[(R)-(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide
CID 1179711
N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1416603
N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 46740166
N-[3-[[4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 4223092

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide (CID 4825625) is N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide is COc1cc(C(c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCOCC2)ccc1OCC(C)C.
What is the InChIKey of N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is WMMUELOJTXDCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5S/c1-17(2)16-34-21-9-8-20(15-23(21)31-5)25(29-10-13-32-14-11-29)24-18(3)19(4)35-27(24)28-26(30)22-7-6-12-33-22/h6-9,12,15,17,25H,10-11,13-14,16H2,1-5H3,(H,28,30).
What are the key properties of N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 498.65 g/mol, XLogP of 5.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 4825625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).