N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C19H23N3O3S — CID 112794243

About N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 112794243) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 112794243
• Molecular Formula: C19H23N3O3S
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.15
• IUPAC Name: N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• SMILES: CC(C)N(CC(N)=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccs1
• InChI: InChI=1S/C19H23N3O3S/c1-13(2)22(12-17(20)23)19(25)15(11-14-7-4-3-5-8-14)21-18(24)16-9-6-10-26-16/h3-10,13,15H,11-12H2,1-2H3,(H2,20,23)(H,21,24)
• InChIKey: AQHOUZMJKLILJH-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 92.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 112794243) is N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is CC(C)N(CC(N)=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccs1.

What is the InChIKey of N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The InChIKey is AQHOUZMJKLILJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(2)22(12-17(20)23)19(25)15(11-14-7-4-3-5-8-14)21-18(24)16-9-6-10-26-16/h3-10,13,15H,11-12H2,1-2H3,(H2,20,23)(H,21,24).

What are the key properties of N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 112794243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).