N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

C22H20ClN3O2S2 — CID 46415886

About N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 46415886) has the molecular formula C22H20ClN3O2S2 and a molecular weight of 458.01 g/mol. Its IUPAC name is N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 46415886
• Molecular Formula: C22H20ClN3O2S2
• Molecular Weight: 458.01 g/mol
• Exact Mass: 457.07
• IUPAC Name: N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
• SMILES: CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)c1ccc(Cl)s1
• InChI: InChI=1S/C22H20ClN3O2S2/c1-13(18-8-9-20(23)30-18)25-21(27)17(26-22(28)19-7-4-10-29-19)11-14-12-24-16-6-3-2-5-15(14)16/h2-10,12-13,17,24H,11H2,1H3,(H,25,27)(H,26,28)
• InChIKey: WELPEXBLCVVBKZ-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 73.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.01
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 46415886) is N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)c1ccc(Cl)s1.

What is the InChIKey of N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The InChIKey is WELPEXBLCVVBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S2/c1-13(18-8-9-20(23)30-18)25-21(27)17(26-22(28)19-7-4-10-29-19)11-14-12-24-16-6-3-2-5-15(14)16/h2-10,12-13,17,24H,11H2,1H3,(H,25,27)(H,26,28).

What are the key properties of N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?

N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 458.01 g/mol, XLogP of 5.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46415886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).