N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide

C16H18N2O2S — CID 61298346

IUPACN-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1SC(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C16H18N2O2S/c1-11(21-15-6-4-3-5-14(15)20-2)16(19)18-13-9-7-12(17)8-10-13/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyWBQOJPCKKCUTSN-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.40
Rot. Bonds5

About N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide

N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide (PubChem CID 61298346) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
PubChem CID61298346
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1SC(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C16H18N2O2S/c1-11(21-15-6-4-3-5-14(15)20-2)16(19)18-13-9-7-12(17)8-10-13/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyWBQOJPCKKCUTSN-UHFFFAOYSA-N
XLogP3.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide
CID 60892180
N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298351
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 19059132
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214605
(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214634
(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 9432906
2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
CID 55417451
2-(2-methoxyphenyl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 60593777
(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214627

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide (CID 61298346) is N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide is COc1ccccc1SC(C)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide?
The InChIKey is WBQOJPCKKCUTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(21-15-6-4-3-5-14(15)20-2)16(19)18-13-9-7-12(17)8-10-13/h3-11H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide?
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide has a molecular weight of 302.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 61298346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).