4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide

C33H42N4O4S — CID 66919918

IUPAC4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide
SMILESCOc1cc2c(cc1C(=O)NCCN1CCOCC1)-c1c(-c3cccs3)c3c(n1CC2)C(=O)N(C(C)(C)C)CCCC3
InChIInChI=1S/C33H42N4O4S/c1-33(2,3)37-12-6-5-8-23-28(27-9-7-19-42-27)29-24-21-25(31(38)34-11-14-35-15-17-41-18-16-35)26(40-4)20-22(24)10-13-36(29)30(23)32(37)39/h7,9,19-21H,5-6,8,10-18H2,1-4H3,(H,34,38)
InChIKeyUJTJCPGUMQYSBJ-UHFFFAOYSA-N
MW590.79 g/mol
LogP5.09
Rot. Bonds6

About 4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide

4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide (PubChem CID 66919918) has the molecular formula C33H42N4O4S and a molecular weight of 590.79 g/mol. Its IUPAC name is 4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide
PubChem CID66919918
Molecular FormulaC33H42N4O4S
Molecular Weight590.79 g/mol
Exact Mass590.29
IUPAC Name4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide
SMILESCOc1cc2c(cc1C(=O)NCCN1CCOCC1)-c1c(-c3cccs3)c3c(n1CC2)C(=O)N(C(C)(C)C)CCCC3
InChIInChI=1S/C33H42N4O4S/c1-33(2,3)37-12-6-5-8-23-28(27-9-7-19-42-27)29-24-21-25(31(38)34-11-14-35-15-17-41-18-16-35)26(40-4)20-22(24)10-13-36(29)30(23)32(37)39/h7,9,19-21H,5-6,8,10-18H2,1-4H3,(H,34,38)
InChIKeyUJTJCPGUMQYSBJ-UHFFFAOYSA-N
XLogP5.09
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.79
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-tert-butyl-15-methoxy-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaen-14-yl)-2-chloroacetamide
CID 58124891
N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 66925728
N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
CID 67529321
5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522639
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
N-(2,2-dimethylpropyl)-9-(hydroxymethyl)-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 66925772
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
2-methoxy-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110761441
N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
CID 117086819
N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119696
1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39034106

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide?
The IUPAC name of 4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide (CID 66919918) is 4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide.
What is the SMILES notation for 4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide?
The canonical SMILES for 4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide is COc1cc2c(cc1C(=O)NCCN1CCOCC1)-c1c(-c3cccs3)c3c(n1CC2)C(=O)N(C(C)(C)C)CCCC3.
What is the InChIKey of 4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide?
The InChIKey is UJTJCPGUMQYSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N4O4S/c1-33(2,3)37-12-6-5-8-23-28(27-9-7-19-42-27)29-24-21-25(31(38)34-11-14-35-15-17-41-18-16-35)26(40-4)20-22(24)10-13-36(29)30(23)32(37)39/h7,9,19-21H,5-6,8,10-18H2,1-4H3,(H,34,38).
What are the key properties of 4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide?
4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide has a molecular weight of 590.79 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide is sourced from PubChem (CID 66919918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).