N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

C29H31N5O2S3 — CID 59135996

About N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 59135996) has the molecular formula C29H31N5O2S3 and a molecular weight of 577.80 g/mol. Its IUPAC name is N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
• PubChem CID: 59135996
• Molecular Formula: C29H31N5O2S3
• Molecular Weight: 577.80 g/mol
• Exact Mass: 577.16
• IUPAC Name: N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
• SMILES: CC(C)N(c1cccc2cc(-c3ncc(CN4CCCC(c5ccccn5)C4)s3)[nH]c12)S(=O)(=O)c1cccs1
• InChI: InChI=1S/C29H31N5O2S3/c1-20(2)34(39(35,36)27-12-7-15-37-27)26-11-5-8-21-16-25(32-28(21)26)29-31-17-23(38-29)19-33-14-6-9-22(18-33)24-10-3-4-13-30-24/h3-5,7-8,10-13,15-17,20,22,32H,6,9,14,18-19H2,1-2H3
• InChIKey: RAKNEXOPYCRABK-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.80
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?

The IUPAC name of N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 59135996) is N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

What is the SMILES notation for N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is CC(C)N(c1cccc2cc(-c3ncc(CN4CCCC(c5ccccn5)C4)s3)[nH]c12)S(=O)(=O)c1cccs1.

What is the InChIKey of N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?

The InChIKey is RAKNEXOPYCRABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2S3/c1-20(2)34(39(35,36)27-12-7-15-37-27)26-11-5-8-21-16-25(32-28(21)26)29-31-17-23(38-29)19-33-14-6-9-22(18-33)24-10-3-4-13-30-24/h3-5,7-8,10-13,15-17,20,22,32H,6,9,14,18-19H2,1-2H3.

What are the key properties of N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?

N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 577.80 g/mol, XLogP of 6.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59135996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).