5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide

C17H19ClN4O3S — CID 58834683

About 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide

5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide (PubChem CID 58834683) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide
• PubChem CID: 58834683
• Molecular Formula: C17H19ClN4O3S
• Molecular Weight: 394.88 g/mol
• Exact Mass: 394.09
• IUPAC Name: 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide
• SMILES: O=C(NC[C@H](O)CNc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)s1
• InChI: InChI=1S/C17H19ClN4O3S/c18-15-6-5-14(26-15)16(24)21-10-13(23)9-20-11-1-3-12(4-2-11)22-8-7-19-17(22)25/h1-6,13,20,23H,7-10H2,(H,19,25)(H,21,24)/t13-/m1/s1
• InChIKey: KPCYHANOQVMFHE-CYBMUJFWSA-N
• XLogP: 2.13
• TPSA: 93.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.88
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide (CID 58834683) is 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide is O=C(NC[C@H](O)CNc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)s1.

What is the InChIKey of 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide?

The InChIKey is KPCYHANOQVMFHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c18-15-6-5-14(26-15)16(24)21-10-13(23)9-20-11-1-3-12(4-2-11)22-8-7-19-17(22)25/h1-6,13,20,23H,7-10H2,(H,19,25)(H,21,24)/t13-/m1/s1.

What are the key properties of 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide?

5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 2.13, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 58834683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).