N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide

C29H40N6O5S — CID 90934299

IUPACN-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide
SMILESCC1CC(C(=O)Nc2nc(-c3ccc(C(=O)NC(C)C)cc3)cs2)N(C(=O)C(NC(=O)N2CCOCC2)C(C)C)C1
InChIInChI=1S/C29H40N6O5S/c1-17(2)24(32-29(39)34-10-12-40-13-11-34)27(38)35-15-19(5)14-23(35)26(37)33-28-31-22(16-41-28)20-6-8-21(9-7-20)25(36)30-18(3)4/h6-9,16-19,23-24H,10-15H2,1-5H3,(H,30,36)(H,32,39)(H,31,33,37)
InChIKeyZOZUVNVFZGYIRP-UHFFFAOYSA-N
MW584.74 g/mol
LogP3.19
Rot. Bonds8

About N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide

N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide (PubChem CID 90934299) has the molecular formula C29H40N6O5S and a molecular weight of 584.74 g/mol. Its IUPAC name is N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide
PubChem CID90934299
Molecular FormulaC29H40N6O5S
Molecular Weight584.74 g/mol
Exact Mass584.28
IUPAC NameN-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide
SMILESCC1CC(C(=O)Nc2nc(-c3ccc(C(=O)NC(C)C)cc3)cs2)N(C(=O)C(NC(=O)N2CCOCC2)C(C)C)C1
InChIInChI=1S/C29H40N6O5S/c1-17(2)24(32-29(39)34-10-12-40-13-11-34)27(38)35-15-19(5)14-23(35)26(37)33-28-31-22(16-41-28)20-6-8-21(9-7-20)25(36)30-18(3)4/h6-9,16-19,23-24H,10-15H2,1-5H3,(H,30,36)(H,32,39)(H,31,33,37)
InChIKeyZOZUVNVFZGYIRP-UHFFFAOYSA-N
XLogP3.19
TPSA132.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.74
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide 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 N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide (CID 90934299) is N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide is CC1CC(C(=O)Nc2nc(-c3ccc(C(=O)NC(C)C)cc3)cs2)N(C(=O)C(NC(=O)N2CCOCC2)C(C)C)C1.
What is the InChIKey of N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide?
The InChIKey is ZOZUVNVFZGYIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N6O5S/c1-17(2)24(32-29(39)34-10-12-40-13-11-34)27(38)35-15-19(5)14-23(35)26(37)33-28-31-22(16-41-28)20-6-8-21(9-7-20)25(36)30-18(3)4/h6-9,16-19,23-24H,10-15H2,1-5H3,(H,30,36)(H,32,39)(H,31,33,37).
What are the key properties of N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide?
N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide has a molecular weight of 584.74 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[4-methyl-2-[[4-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 90934299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).