5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide

C15H18N6O2S — CID 70778357

IUPAC5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NCCSc1nnnn1C)n2C
InChIInChI=1S/C15H18N6O2S/c1-20-12-5-4-11(23-3)8-10(12)9-13(20)14(22)16-6-7-24-15-17-18-19-21(15)2/h4-5,8-9H,6-7H2,1-3H3,(H,16,22)
InChIKeyKRSMNAYFTNIYIF-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.23
Rot. Bonds6

About 5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide

5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide (PubChem CID 70778357) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide
PubChem CID70778357
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NCCSc1nnnn1C)n2C
InChIInChI=1S/C15H18N6O2S/c1-20-12-5-4-11(23-3)8-10(12)9-13(20)14(22)16-6-7-24-15-17-18-19-21(15)2/h4-5,8-9H,6-7H2,1-3H3,(H,16,22)
InChIKeyKRSMNAYFTNIYIF-UHFFFAOYSA-N
XLogP1.23
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 72891753
5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide
CID 70736168
4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid
CID 72885216
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide
CID 56721773
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
CID 110833437
N-(2,4-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1081017
2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 77098009
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70735811
N-[(4-methoxyphenyl)methoxy]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 88786569
N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70739975

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide (CID 70778357) is 5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)NCCSc1nnnn1C)n2C.
What is the InChIKey of 5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide?
The InChIKey is KRSMNAYFTNIYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-20-12-5-4-11(23-3)8-10(12)9-13(20)14(22)16-6-7-24-15-17-18-19-21(15)2/h4-5,8-9H,6-7H2,1-3H3,(H,16,22).
What are the key properties of 5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide?
5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide is sourced from PubChem (CID 70778357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).