N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide

C15H22N2O3S — CID 107748299

IUPACN-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)SC2CCOC2C)c(N)c1
InChIInChI=1S/C15H22N2O3S/c1-9-14(6-7-20-9)21-10(2)15(18)17-13-5-4-11(19-3)8-12(13)16/h4-5,8-10,14H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyRVJPWIQLDUIJDH-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.52
Rot. Bonds5

About N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide

N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide (PubChem CID 107748299) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
PubChem CID107748299
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)SC2CCOC2C)c(N)c1
InChIInChI=1S/C15H22N2O3S/c1-9-14(6-7-20-9)21-10(2)15(18)17-13-5-4-11(19-3)8-12(13)16/h4-5,8-10,14H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyRVJPWIQLDUIJDH-UHFFFAOYSA-N
XLogP2.52
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide (CID 107748299) is N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide is COc1ccc(NC(=O)C(C)SC2CCOC2C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide?
The InChIKey is RVJPWIQLDUIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-9-14(6-7-20-9)21-10(2)15(18)17-13-5-4-11(19-3)8-12(13)16/h4-5,8-10,14H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide?
N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide has a molecular weight of 310.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide is sourced from PubChem (CID 107748299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).