N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide

C27H30N4O4S2 — CID 11757017

About N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide

N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide (PubChem CID 11757017) has the molecular formula C27H30N4O4S2 and a molecular weight of 538.70 g/mol. Its IUPAC name is N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide
• PubChem CID: 11757017
• Molecular Formula: C27H30N4O4S2
• Molecular Weight: 538.70 g/mol
• Exact Mass: 538.17
• IUPAC Name: N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide
• SMILES: COc1ccc2ccc(S(=O)(=O)NC(Cc3cc4c(N)nccc4s3)C(=O)N3CCC(C)CC3)cc2c1
• InChI: InChI=1S/C27H30N4O4S2/c1-17-8-11-31(12-9-17)27(32)24(16-21-15-23-25(36-21)7-10-29-26(23)28)30-37(33,34)22-6-4-18-3-5-20(35-2)13-19(18)14-22/h3-7,10,13-15,17,24,30H,8-9,11-12,16H2,1-2H3,(H2,28,29)
• InChIKey: YHZXQULQLNKEPU-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 114.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.70
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide?

The IUPAC name of N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide (CID 11757017) is N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide.

What is the SMILES notation for N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide?

The canonical SMILES for N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide is COc1ccc2ccc(S(=O)(=O)NC(Cc3cc4c(N)nccc4s3)C(=O)N3CCC(C)CC3)cc2c1.

What is the InChIKey of N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide?

The InChIKey is YHZXQULQLNKEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4S2/c1-17-8-11-31(12-9-17)27(32)24(16-21-15-23-25(36-21)7-10-29-26(23)28)30-37(33,34)22-6-4-18-3-5-20(35-2)13-19(18)14-22/h3-7,10,13-15,17,24,30H,8-9,11-12,16H2,1-2H3,(H2,28,29).

What are the key properties of N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide?

N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide has a molecular weight of 538.70 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide is sourced from PubChem (CID 11757017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).