N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide

C18H16N4O2S — CID 71788669

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2ccc3nsnc3c2)c2ccccc21
InChIInChI=1S/C18H16N4O2S/c1-22-10-13(12-4-2-3-5-16(12)22)17(23)9-19-18(24)11-6-7-14-15(8-11)21-25-20-14/h2-8,10,17,23H,9H2,1H3,(H,19,24)
InChIKeyURWYYGVFUULWOM-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.65
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 71788669) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID71788669
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2ccc3nsnc3c2)c2ccccc21
InChIInChI=1S/C18H16N4O2S/c1-22-10-13(12-4-2-3-5-16(12)22)17(23)9-19-18(24)11-6-7-14-15(8-11)21-25-20-14/h2-8,10,17,23H,9H2,1H3,(H,19,24)
InChIKeyURWYYGVFUULWOM-UHFFFAOYSA-N
XLogP2.65
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-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-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide
CID 90535044
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 71788660
4-(dimethylamino)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90535031
3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide
CID 86264357
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide
CID 90535046
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 52992616
3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 30945806
N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 99997411
N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99982931
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 97417689

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 71788669) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide is Cn1cc(C(O)CNC(=O)c2ccc3nsnc3c2)c2ccccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is URWYYGVFUULWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-22-10-13(12-4-2-3-5-16(12)22)17(23)9-19-18(24)11-6-7-14-15(8-11)21-25-20-14/h2-8,10,17,23H,9H2,1H3,(H,19,24).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 71788669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).