1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

C19H28N4O3S2 — CID 53138644

About 1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (PubChem CID 53138644) has the molecular formula C19H28N4O3S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.

Molecular Properties

• Compound Name: 1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
• PubChem CID: 53138644
• Molecular Formula: C19H28N4O3S2
• Molecular Weight: 424.59 g/mol
• Exact Mass: 424.16
• IUPAC Name: 1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
• SMILES: Cc1nc(-c2cc(S(=O)(=O)NCCC(C)C)cn2C)sc1C(=O)N1CCCC1
• InChI: InChI=1S/C19H28N4O3S2/c1-13(2)7-8-20-28(25,26)15-11-16(22(4)12-15)18-21-14(3)17(27-18)19(24)23-9-5-6-10-23/h11-13,20H,5-10H2,1-4H3
• InChIKey: RGZKTLNBBDXGRL-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.59
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?

The IUPAC name of 1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (CID 53138644) is 1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.

What is the SMILES notation for 1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?

The canonical SMILES for 1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is Cc1nc(-c2cc(S(=O)(=O)NCCC(C)C)cn2C)sc1C(=O)N1CCCC1.

What is the InChIKey of 1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?

The InChIKey is RGZKTLNBBDXGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S2/c1-13(2)7-8-20-28(25,26)15-11-16(22(4)12-15)18-21-14(3)17(27-18)19(24)23-9-5-6-10-23/h11-13,20H,5-10H2,1-4H3.

What are the key properties of 1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?

1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide has a molecular weight of 424.59 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is sourced from PubChem (CID 53138644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).