tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate

C33H38N4O4S — CID 90129681

IUPACtert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C33H38N4O4S/c1-33(2,3)41-32(39)35-27-9-8-23(29-5-4-18-42-29)21-28(27)34-31(38)25-19-24-10-11-37(13-12-36-14-16-40-17-15-36)30(24)26(20-25)22-6-7-22/h4-5,8-11,18-22H,6-7,12-17H2,1-3H3,(H,34,38)(H,35,39)
InChIKeyAEAGXTKFCBCPMJ-UHFFFAOYSA-N
MW586.76 g/mol
LogP7.18
Rot. Bonds8

About tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate

tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate (PubChem CID 90129681) has the molecular formula C33H38N4O4S and a molecular weight of 586.76 g/mol. Its IUPAC name is tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate
PubChem CID90129681
Molecular FormulaC33H38N4O4S
Molecular Weight586.76 g/mol
Exact Mass586.26
IUPAC Nametert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C33H38N4O4S/c1-33(2,3)41-32(39)35-27-9-8-23(29-5-4-18-42-29)21-28(27)34-31(38)25-19-24-10-11-37(13-12-36-14-16-40-17-15-36)30(24)26(20-25)22-6-7-22/h4-5,8-11,18-22H,6-7,12-17H2,1-3H3,(H,34,38)(H,35,39)
InChIKeyAEAGXTKFCBCPMJ-UHFFFAOYSA-N
XLogP7.18
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.76
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate (CID 90129681) is tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1.
What is the InChIKey of tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate?
The InChIKey is AEAGXTKFCBCPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O4S/c1-33(2,3)41-32(39)35-27-9-8-23(29-5-4-18-42-29)21-28(27)34-31(38)25-19-24-10-11-37(13-12-36-14-16-40-17-15-36)30(24)26(20-25)22-6-7-22/h4-5,8-11,18-22H,6-7,12-17H2,1-3H3,(H,34,38)(H,35,39).
What are the key properties of tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate?
tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate has a molecular weight of 586.76 g/mol, XLogP of 7.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate is sourced from PubChem (CID 90129681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).