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

C20H22N2O2S3 — CID 93479641

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

N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide (PubChem CID 93479641) has the molecular formula C20H22N2O2S3 and a molecular weight of 418.61 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide
• PubChem CID: 93479641
• Molecular Formula: C20H22N2O2S3
• Molecular Weight: 418.61 g/mol
• Exact Mass: 418.08
• IUPAC Name: N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide
• SMILES: Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccsc2)N2CCOCC2)c1C
• InChI: InChI=1S/C20H22N2O2S3/c1-13-14(2)27-20(21-19(23)16-4-3-10-26-16)17(13)18(15-5-11-25-12-15)22-6-8-24-9-7-22/h3-5,10-12,18H,6-9H2,1-2H3,(H,21,23)/t18-/m1/s1
• InChIKey: JWCQNCLSKDYVDO-GOSISDBHSA-N
• XLogP: 5.16
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.61
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide (CID 93479641) is N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide is Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccsc2)N2CCOCC2)c1C.

What is the InChIKey of N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide?

The InChIKey is JWCQNCLSKDYVDO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O2S3/c1-13-14(2)27-20(21-19(23)16-4-3-10-26-16)17(13)18(15-5-11-25-12-15)22-6-8-24-9-7-22/h3-5,10-12,18H,6-9H2,1-2H3,(H,21,23)/t18-/m1/s1.

What are the key properties of N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide?

N-[4,5-dimethyl-3-[(R)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide has a molecular weight of 418.61 g/mol, XLogP of 5.16, 5 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)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 93479641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).