N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C19H22N4O2S — CID 27161634

About N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 27161634) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
• PubChem CID: 27161634
• Molecular Formula: C19H22N4O2S
• Molecular Weight: 370.48 g/mol
• Exact Mass: 370.15
• IUPAC Name: N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
• SMILES: CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCCc1nc2ccccc2[nH]1
• InChI: InChI=1S/C19H22N4O2S/c1-12(2)17(23-18(24)15-8-5-11-26-15)19(25)20-10-9-16-21-13-6-3-4-7-14(13)22-16/h3-8,11-12,17H,9-10H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)/t17-/m1/s1
• InChIKey: SMCNLSMVLYNZIL-QGZVFWFLSA-N
• XLogP: 2.74
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.48
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 27161634) is N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCCc1nc2ccccc2[nH]1.

What is the InChIKey of N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?

The InChIKey is SMCNLSMVLYNZIL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12(2)17(23-18(24)15-8-5-11-26-15)19(25)20-10-9-16-21-13-6-3-4-7-14(13)22-16/h3-8,11-12,17H,9-10H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)/t17-/m1/s1.

What are the key properties of N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?

N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 27161634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).