N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide

C26H30N2O4S — CID 1416593

IUPACN-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCOc1ccc([C@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCOCC2)cc1OC
InChIInChI=1S/C26H30N2O4S/c1-17-18(2)33-26(27-25(29)19-8-6-5-7-9-19)23(17)24(28-12-14-32-15-13-28)20-10-11-21(30-3)22(16-20)31-4/h5-11,16,24H,12-15H2,1-4H3,(H,27,29)/t24-/m1/s1
InChIKeyDCEMIYPYMSNCRI-XMMPIXPASA-N
MW466.60 g/mol
LogP5.06
Rot. Bonds7

About N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide

N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 1416593) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID1416593
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCOc1ccc([C@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCOCC2)cc1OC
InChIInChI=1S/C26H30N2O4S/c1-17-18(2)33-26(27-25(29)19-8-6-5-7-9-19)23(17)24(28-12-14-32-15-13-28)20-10-11-21(30-3)22(16-20)31-4/h5-11,16,24H,12-15H2,1-4H3,(H,27,29)/t24-/m1/s1
InChIKeyDCEMIYPYMSNCRI-XMMPIXPASA-N
XLogP5.06
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
CID 93479629
N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1416603
N-[4,5-dimethyl-3-[(S)-morpholin-4-yl(phenyl)methyl]thiophen-2-yl]-4-methoxybenzamide
CID 1382592
N-[3-[(S)-(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1416567
4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1382607
4-methoxy-N-[3-[(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4173376
N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 4825625
N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide
CID 3590601
N-[3-[(S)-(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
CID 93478968
N-[3-[(R)-(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide
CID 1179711
N-[3-[(R)-(4-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 42373623
N-[3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1178736

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide (CID 1416593) is N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide is COc1ccc([C@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCOCC2)cc1OC.
What is the InChIKey of N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is DCEMIYPYMSNCRI-XMMPIXPASA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-17-18(2)33-26(27-25(29)19-8-6-5-7-9-19)23(17)24(28-12-14-32-15-13-28)20-10-11-21(30-3)22(16-20)31-4/h5-11,16,24H,12-15H2,1-4H3,(H,27,29)/t24-/m1/s1.
What are the key properties of N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 466.60 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 1416593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).