N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide

C30H29ClN4O6S — CID 58733025

About N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide (PubChem CID 58733025) has the molecular formula C30H29ClN4O6S and a molecular weight of 609.10 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide
• PubChem CID: 58733025
• Molecular Formula: C30H29ClN4O6S
• Molecular Weight: 609.10 g/mol
• Exact Mass: 608.15
• IUPAC Name: N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide
• SMILES: CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc(=O)c3ccccc3o2)CC1
• InChI: InChI=1S/C30H29ClN4O6S/c1-42(39,40)33-23-7-3-4-8-25(23)34-14-16-35(17-15-34)30(38)24(18-20-10-12-21(31)13-11-20)32-29(37)28-19-26(36)22-6-2-5-9-27(22)41-28/h2-13,19,24,33H,14-18H2,1H3,(H,32,37)/t24-/m1/s1
• InChIKey: PRPCPOYTQYQTMR-XMMPIXPASA-N
• XLogP: 3.51
• TPSA: 129.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.10
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide?

The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide (CID 58733025) is N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide is CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc(=O)c3ccccc3o2)CC1.

What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide?

The InChIKey is PRPCPOYTQYQTMR-XMMPIXPASA-N. The full InChI is InChI=1S/C30H29ClN4O6S/c1-42(39,40)33-23-7-3-4-8-25(23)34-14-16-35(17-15-34)30(38)24(18-20-10-12-21(31)13-11-20)32-29(37)28-19-26(36)22-6-2-5-9-27(22)41-28/h2-13,19,24,33H,14-18H2,1H3,(H,32,37)/t24-/m1/s1.

What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide?

N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide has a molecular weight of 609.10 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 58733025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).