N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide

C30H35N3O4S — CID 170705275

IUPACN-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide
SMILESCc1sc(NC(=O)Cc2cccc(OCCC(C)CCO)c2)nc1-c1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C30H35N3O4S/c1-19(11-14-34)12-15-37-25-5-3-4-21(16-25)17-27(35)31-30-32-28(20(2)38-30)24-8-9-26-23(18-24)10-13-33(26)29(36)22-6-7-22/h3-5,8-9,16,18-19,22,34H,6-7,10-15,17H2,1-2H3,(H,31,32,35)
InChIKeyVMBWPYKJXGZMET-UHFFFAOYSA-N
MW533.69 g/mol
LogP5.39
Rot. Bonds11

About N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide

N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide (PubChem CID 170705275) has the molecular formula C30H35N3O4S and a molecular weight of 533.69 g/mol. Its IUPAC name is N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide
PubChem CID170705275
Molecular FormulaC30H35N3O4S
Molecular Weight533.69 g/mol
Exact Mass533.23
IUPAC NameN-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide
SMILESCc1sc(NC(=O)Cc2cccc(OCCC(C)CCO)c2)nc1-c1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C30H35N3O4S/c1-19(11-14-34)12-15-37-25-5-3-4-21(16-25)17-27(35)31-30-32-28(20(2)38-30)24-8-9-26-23(18-24)10-13-33(26)29(36)22-6-7-22/h3-5,8-9,16,18-19,22,34H,6-7,10-15,17H2,1-2H3,(H,31,32,35)
InChIKeyVMBWPYKJXGZMET-UHFFFAOYSA-N
XLogP5.39
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.69
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide 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-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide?
The IUPAC name of N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide (CID 170705275) is N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide?
The canonical SMILES for N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide is Cc1sc(NC(=O)Cc2cccc(OCCC(C)CCO)c2)nc1-c1ccc2c(c1)CCN2C(=O)C1CC1.
What is the InChIKey of N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide?
The InChIKey is VMBWPYKJXGZMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4S/c1-19(11-14-34)12-15-37-25-5-3-4-21(16-25)17-27(35)31-30-32-28(20(2)38-30)24-8-9-26-23(18-24)10-13-33(26)29(36)22-6-7-22/h3-5,8-9,16,18-19,22,34H,6-7,10-15,17H2,1-2H3,(H,31,32,35).
What are the key properties of N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide?
N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide has a molecular weight of 533.69 g/mol, XLogP of 5.39, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetamide is sourced from PubChem (CID 170705275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).