N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide

C23H26N2O2S3 — CID 93479067

IUPACN-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide
SMILESCSc1ccc([C@H](c2c(NC(=O)c3cccs3)sc(C)c2C)N2CCOCC2)cc1
InChIInChI=1S/C23H26N2O2S3/c1-15-16(2)30-23(24-22(26)19-5-4-14-29-19)20(15)21(25-10-12-27-13-11-25)17-6-8-18(28-3)9-7-17/h4-9,14,21H,10-13H2,1-3H3,(H,24,26)/t21-/m1/s1
InChIKeyIEWJGDKOAPWXLB-OAQYLSRUSA-N
MW458.67 g/mol
LogP5.82
Rot. Bonds6

About N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide

N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide (PubChem CID 93479067) has the molecular formula C23H26N2O2S3 and a molecular weight of 458.67 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide
PubChem CID93479067
Molecular FormulaC23H26N2O2S3
Molecular Weight458.67 g/mol
Exact Mass458.12
IUPAC NameN-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide
SMILESCSc1ccc([C@H](c2c(NC(=O)c3cccs3)sc(C)c2C)N2CCOCC2)cc1
InChIInChI=1S/C23H26N2O2S3/c1-15-16(2)30-23(24-22(26)19-5-4-14-29-19)20(15)21(25-10-12-27-13-11-25)17-6-8-18(28-3)9-7-17/h4-9,14,21H,10-13H2,1-3H3,(H,24,26)/t21-/m1/s1
InChIKeyIEWJGDKOAPWXLB-OAQYLSRUSA-N
XLogP5.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.67
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,5-dimethyl-3-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide
CID 46740101
N-[3-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
CID 93479046
N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide
CID 93479061
N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide
CID 93479641
N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
CID 93479629
N-[4,5-dimethyl-3-[(S)-(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]thiophene-2-carboxamide
CID 93479696
N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide
CID 93479663
N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide
CID 93478961
N-[3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
CID 46740463
N-[4,5-dimethyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide
CID 4671767
ethyl 4-[[4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophen-3-yl]-(4-methylphenyl)methyl]piperazine-1-carboxylate
CID 46740489
N-[4,5-dimethyl-3-[(S)-(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide
CID 2061143

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide (CID 93479067) is N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide is CSc1ccc([C@H](c2c(NC(=O)c3cccs3)sc(C)c2C)N2CCOCC2)cc1.
What is the InChIKey of N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide?
The InChIKey is IEWJGDKOAPWXLB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N2O2S3/c1-15-16(2)30-23(24-22(26)19-5-4-14-29-19)20(15)21(25-10-12-27-13-11-25)17-6-8-18(28-3)9-7-17/h4-9,14,21H,10-13H2,1-3H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide?
N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide has a molecular weight of 458.67 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 93479067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).