4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C19H27N3O2S — CID 39214885

About 4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 39214885) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
• PubChem CID: 39214885
• Molecular Formula: C19H27N3O2S
• Molecular Weight: 361.51 g/mol
• Exact Mass: 361.18
• IUPAC Name: 4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
• SMILES: CCN(CC)[C@@H](CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccsc1
• InChI: InChI=1S/C19H27N3O2S/c1-6-22(7-2)16(15-8-9-25-11-15)10-20-19(24)18-12(3)17(14(5)23)13(4)21-18/h8-9,11,16,21H,6-7,10H2,1-5H3,(H,20,24)/t16-/m0/s1
• InChIKey: NDNAJMQTAOCUPU-INIZCTEOSA-N
• XLogP: 3.71
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.51
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?

The IUPAC name of 4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 39214885) is 4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?

The canonical SMILES for 4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCN(CC)[C@@H](CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccsc1.

What is the InChIKey of 4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?

The InChIKey is NDNAJMQTAOCUPU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-6-22(7-2)16(15-8-9-25-11-15)10-20-19(24)18-12(3)17(14(5)23)13(4)21-18/h8-9,11,16,21H,6-7,10H2,1-5H3,(H,20,24)/t16-/m0/s1.

What are the key properties of 4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?

4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 39214885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).