2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate

C63H70N6O6S2 — CID 157290959

About 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate

2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate (PubChem CID 157290959) has the molecular formula C63H70N6O6S2 and a molecular weight of 1071.42 g/mol. Its IUPAC name is 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate.

Molecular Properties

• Compound Name: 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate
• PubChem CID: 157290959
• Molecular Formula: C63H70N6O6S2
• Molecular Weight: 1071.42 g/mol
• Exact Mass: 1070.48
• IUPAC Name: 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate
• SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1
• InChI: InChI=1S/C34H39N3O4S.C29H31N3O2S/c1-34(2,3)41-33(39)35-29-9-8-24(31-5-4-18-42-31)19-26(29)22-30(38)27-20-25-10-11-37(13-12-36-14-16-40-17-15-36)32(25)28(21-27)23-6-7-23;30-26-6-5-21(28-2-1-15-35-28)16-23(26)19-27(33)24-17-22-7-8-32(10-9-31-11-13-34-14-12-31)29(22)25(18-24)20-3-4-20/h4-5,8-11,18-21,23H,6-7,12-17,22H2,1-3H3,(H,35,39);1-2,5-8,15-18,20H,3-4,9-14,19,30H2
• InChIKey: BAUJJRHTGFLJQM-UHFFFAOYSA-N
• XLogP: 12.94
• TPSA: 133.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1071.42
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate?

The IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate (CID 157290959) is 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate.

What is the SMILES notation for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate?

The canonical SMILES for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1.

What is the InChIKey of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate?

The InChIKey is BAUJJRHTGFLJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O4S.C29H31N3O2S/c1-34(2,3)41-33(39)35-29-9-8-24(31-5-4-18-42-31)19-26(29)22-30(38)27-20-25-10-11-37(13-12-36-14-16-40-17-15-36)32(25)28(21-27)23-6-7-23;30-26-6-5-21(28-2-1-15-35-28)16-23(26)19-27(33)24-17-22-7-8-32(10-9-31-11-13-34-14-12-31)29(22)25(18-24)20-3-4-20/h4-5,8-11,18-21,23H,6-7,12-17,22H2,1-3H3,(H,35,39);1-2,5-8,15-18,20H,3-4,9-14,19,30H2.

What are the key properties of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate?

2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate has a molecular weight of 1071.42 g/mol, XLogP of 12.94, 17 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate is sourced from PubChem (CID 157290959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).