2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

C24H25FN4O3S — CID 67077654

About 2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 67077654) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
• PubChem CID: 67077654
• Molecular Formula: C24H25FN4O3S
• Molecular Weight: 468.55 g/mol
• Exact Mass: 468.16
• IUPAC Name: 2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
• SMILES: NC(=O)Nc1sc(-c2ccc(OCc3ccccc3)cc2F)cc1C(=O)N[C@H]1CCCNC1
• InChI: InChI=1S/C24H25FN4O3S/c25-20-11-17(32-14-15-5-2-1-3-6-15)8-9-18(20)21-12-19(23(33-21)29-24(26)31)22(30)28-16-7-4-10-27-13-16/h1-3,5-6,8-9,11-12,16,27H,4,7,10,13-14H2,(H,28,30)(H3,26,29,31)/t16-/m0/s1
• InChIKey: KUBYWHPIYMSRJE-INIZCTEOSA-N
• XLogP: 4.11
• TPSA: 105.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.55
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?

The IUPAC name of 2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (CID 67077654) is 2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.

What is the SMILES notation for 2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?

The canonical SMILES for 2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccc(OCc3ccccc3)cc2F)cc1C(=O)N[C@H]1CCCNC1.

What is the InChIKey of 2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?

The InChIKey is KUBYWHPIYMSRJE-INIZCTEOSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c25-20-11-17(32-14-15-5-2-1-3-6-15)8-9-18(20)21-12-19(23(33-21)29-24(26)31)22(30)28-16-7-4-10-27-13-16/h1-3,5-6,8-9,11-12,16,27H,4,7,10,13-14H2,(H,28,30)(H3,26,29,31)/t16-/m0/s1.

What are the key properties of 2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?

2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 4.11, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 67077654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).