N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide

C19H22N2O3S — CID 77083995

IUPACN-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(CCO)Cc3ccc(C)s3)c(C)c2c1
InChIInChI=1S/C19H22N2O3S/c1-12-4-6-15(25-12)11-21(8-9-22)19(23)18-13(2)16-10-14(24-3)5-7-17(16)20-18/h4-7,10,20,22H,8-9,11H2,1-3H3
InChIKeyQYMMQJRMHWAXHU-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.49
Rot. Bonds6

About N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide

N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 77083995) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
PubChem CID77083995
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(CCO)Cc3ccc(C)s3)c(C)c2c1
InChIInChI=1S/C19H22N2O3S/c1-12-4-6-15(25-12)11-21(8-9-22)19(23)18-13(2)16-10-14(24-3)5-7-17(16)20-18/h4-7,10,20,22H,8-9,11H2,1-3H3
InChIKeyQYMMQJRMHWAXHU-UHFFFAOYSA-N
XLogP3.49
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide (CID 77083995) is N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N(CCO)Cc3ccc(C)s3)c(C)c2c1.
What is the InChIKey of N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is QYMMQJRMHWAXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-4-6-15(25-12)11-21(8-9-22)19(23)18-13(2)16-10-14(24-3)5-7-17(16)20-18/h4-7,10,20,22H,8-9,11H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide?
N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 77083995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).