N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C26H26N4O3S — CID 46555681

About N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 46555681) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 46555681
• Molecular Formula: C26H26N4O3S
• Molecular Weight: 474.59 g/mol
• Exact Mass: 474.17
• IUPAC Name: N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
• SMILES: Cc1ccc(NC(=O)CN(C)C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc1
• InChI: InChI=1S/C26H26N4O3S/c1-17-9-11-19(12-10-17)28-24(31)16-30(2)26(33)22(29-25(32)23-8-5-13-34-23)14-18-15-27-21-7-4-3-6-20(18)21/h3-13,15,22,27H,14,16H2,1-2H3,(H,28,31)(H,29,32)
• InChIKey: UVTATWWWLXNYNP-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 94.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.59
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 46555681) is N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc1.

What is the InChIKey of N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

The InChIKey is UVTATWWWLXNYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-17-9-11-19(12-10-17)28-24(31)16-30(2)26(33)22(29-25(32)23-8-5-13-34-23)14-18-15-27-21-7-4-3-6-20(18)21/h3-13,15,22,27H,14,16H2,1-2H3,(H,28,31)(H,29,32).

What are the key properties of N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 3.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46555681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).