2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide

C23H23N5O4S2 — CID 153139481

About 2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide

2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide (PubChem CID 153139481) has the molecular formula C23H23N5O4S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide
• PubChem CID: 153139481
• Molecular Formula: C23H23N5O4S2
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.12
• IUPAC Name: 2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide
• SMILES: Cc1ccsc1S(=O)(=O)Nc1cc(-c2ccc3ncn(CC(C)C(N)=O)c(=O)c3c2)cnc1C
• InChI: InChI=1S/C23H23N5O4S2/c1-13-6-7-33-23(13)34(31,32)27-20-9-17(10-25-15(20)3)16-4-5-19-18(8-16)22(30)28(12-26-19)11-14(2)21(24)29/h4-10,12,14,27H,11H2,1-3H3,(H2,24,29)
• InChIKey: VYIJGKMOMJJZFQ-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 137.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide?

The IUPAC name of 2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide (CID 153139481) is 2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide.

What is the SMILES notation for 2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide?

The canonical SMILES for 2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide is Cc1ccsc1S(=O)(=O)Nc1cc(-c2ccc3ncn(CC(C)C(N)=O)c(=O)c3c2)cnc1C.

What is the InChIKey of 2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide?

The InChIKey is VYIJGKMOMJJZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S2/c1-13-6-7-33-23(13)34(31,32)27-20-9-17(10-25-15(20)3)16-4-5-19-18(8-16)22(30)28(12-26-19)11-14(2)21(24)29/h4-10,12,14,27H,11H2,1-3H3,(H2,24,29).

What are the key properties of 2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide?

2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide has a molecular weight of 497.60 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide is sourced from PubChem (CID 153139481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).