butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane

C37H62N6O7S — CID 144902448

About butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane

butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane (PubChem CID 144902448) has the molecular formula C37H62N6O7S and a molecular weight of 735.00 g/mol. Its IUPAC name is butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane.

Molecular Properties

• Compound Name: butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane
• PubChem CID: 144902448
• Molecular Formula: C37H62N6O7S
• Molecular Weight: 735.00 g/mol
• Exact Mass: 734.44
• IUPAC Name: butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane
• SMILES: CC.CCCC.CCOC(C)C.[H]/N=C(\N)c1ccc(CNC(=O)C2CCCN2C(=O)C(CC(=O)NCC)NS(=O)(=O)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C26H34N6O6S.C5H12O.C4H10.C2H6/c1-3-29-23(33)15-21(31-39(36,37)20-12-10-19(38-2)11-13-20)26(35)32-14-4-5-22(32)25(34)30-16-17-6-8-18(9-7-17)24(27)28;1-4-6-5(2)3;1-3-4-2;1-2/h6-13,21-22,31H,3-5,14-16H2,1-2H3,(H3,27,28)(H,29,33)(H,30,34);5H,4H2,1-3H3;3-4H2,1-2H3;1-2H3
• InChIKey: YFCTXKHGAISHCG-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 193.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	735.00
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane?

The IUPAC name of butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane (CID 144902448) is butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane.

What is the SMILES notation for butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane?

The canonical SMILES for butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane is CC.CCCC.CCOC(C)C.[H]/N=C(\N)c1ccc(CNC(=O)C2CCCN2C(=O)C(CC(=O)NCC)NS(=O)(=O)c2ccc(OC)cc2)cc1.

What is the InChIKey of butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane?

The InChIKey is YFCTXKHGAISHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O6S.C5H12O.C4H10.C2H6/c1-3-29-23(33)15-21(31-39(36,37)20-12-10-19(38-2)11-13-20)26(35)32-14-4-5-22(32)25(34)30-16-17-6-8-18(9-7-17)24(27)28;1-4-6-5(2)3;1-3-4-2;1-2/h6-13,21-22,31H,3-5,14-16H2,1-2H3,(H3,27,28)(H,29,33)(H,30,34);5H,4H2,1-3H3;3-4H2,1-2H3;1-2H3.

What are the key properties of butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane?

butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane has a molecular weight of 735.00 g/mol, XLogP of 4.72, 15 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane is sourced from PubChem (CID 144902448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).