2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

C30H38N2O5S2 — CID 3672201

About 2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 3672201) has the molecular formula C30H38N2O5S2 and a molecular weight of 570.78 g/mol. Its IUPAC name is 2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
• PubChem CID: 3672201
• Molecular Formula: C30H38N2O5S2
• Molecular Weight: 570.78 g/mol
• Exact Mass: 570.22
• IUPAC Name: 2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
• SMILES: COc1ccc(CCN(Cc2ccc(C)s2)C(=O)CN(C2CC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC
• InChI: InChI=1S/C30H38N2O5S2/c1-20-15-21(2)30(22(3)16-20)39(34,35)32(25-9-10-25)19-29(33)31(18-26-11-7-23(4)38-26)14-13-24-8-12-27(36-5)28(17-24)37-6/h7-8,11-12,15-17,25H,9-10,13-14,18-19H2,1-6H3
• InChIKey: KNTLYPKIQZUPDC-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 76.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.78
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?

The IUPAC name of 2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 3672201) is 2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?

The canonical SMILES for 2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide is COc1ccc(CCN(Cc2ccc(C)s2)C(=O)CN(C2CC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC.

What is the InChIKey of 2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?

The InChIKey is KNTLYPKIQZUPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O5S2/c1-20-15-21(2)30(22(3)16-20)39(34,35)32(25-9-10-25)19-29(33)31(18-26-11-7-23(4)38-26)14-13-24-8-12-27(36-5)28(17-24)37-6/h7-8,11-12,15-17,25H,9-10,13-14,18-19H2,1-6H3.

What are the key properties of 2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?

2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 570.78 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 3672201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).