N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide

C19H22N4O2S — CID 51729314

About N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 51729314) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
• PubChem CID: 51729314
• Molecular Formula: C19H22N4O2S
• Molecular Weight: 370.48 g/mol
• Exact Mass: 370.15
• IUPAC Name: N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1nc2ccccc2n1C
• InChI: InChI=1S/C19H22N4O2S/c1-12(2)17(22-18(24)15-9-6-10-26-15)19(25)20-11-16-21-13-7-4-5-8-14(13)23(16)3/h4-10,12,17H,11H2,1-3H3,(H,20,25)(H,22,24)/t17-/m0/s1
• InChIKey: LLTKMACOYZJFEA-KRWDZBQOSA-N
• XLogP: 2.71
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.48
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 51729314) is N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1nc2ccccc2n1C.

What is the InChIKey of N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide?

The InChIKey is LLTKMACOYZJFEA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12(2)17(22-18(24)15-9-6-10-26-15)19(25)20-11-16-21-13-7-4-5-8-14(13)23(16)3/h4-10,12,17H,11H2,1-3H3,(H,20,25)(H,22,24)/t17-/m0/s1.

What are the key properties of N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide?

N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51729314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).