N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

C15H21N5O3S — CID 55991510

IUPACN-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCOCCOc1cc(C)ccc1NC(=O)CCSc1nnnn1C
InChIInChI=1S/C15H21N5O3S/c1-11-4-5-12(13(10-11)23-8-7-22-3)16-14(21)6-9-24-15-17-18-19-20(15)2/h4-5,10H,6-9H2,1-3H3,(H,16,21)
InChIKeyTWFKYJDFRVSDPM-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.66
Rot. Bonds9

About N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 55991510) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID55991510
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCOCCOc1cc(C)ccc1NC(=O)CCSc1nnnn1C
InChIInChI=1S/C15H21N5O3S/c1-11-4-5-12(13(10-11)23-8-7-22-3)16-14(21)6-9-24-15-17-18-19-20(15)2/h4-5,10H,6-9H2,1-3H3,(H,16,21)
InChIKeyTWFKYJDFRVSDPM-UHFFFAOYSA-N
XLogP1.66
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.66
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

N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387877
methyl 2-[3-methyl-4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoylamino]phenoxy]acetate
CID 55979185
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119726882
N-(2,4-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1081017
N'-(2,4-dimethylphenyl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propanediamide
CID 50972244
N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387870
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
N-[2-(2,4-dimethylphenoxy)ethyl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 42023980
N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55950792
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 55949267
methyl 4-(1-methyltetrazol-5-yl)sulfanylbutanoate
CID 13091621

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 55991510) is N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is COCCOc1cc(C)ccc1NC(=O)CCSc1nnnn1C.
What is the InChIKey of N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is TWFKYJDFRVSDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-11-4-5-12(13(10-11)23-8-7-22-3)16-14(21)6-9-24-15-17-18-19-20(15)2/h4-5,10H,6-9H2,1-3H3,(H,16,21).
What are the key properties of N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 351.43 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 55991510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).