2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide

C21H20N2O2S — CID 66894427

IUPAC2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide
SMILESCOc1cccc(SCc2ccc(C(N)=O)c(-c3ccccc3N)c2)c1
InChIInChI=1S/C21H20N2O2S/c1-25-15-5-4-6-16(12-15)26-13-14-9-10-18(21(23)24)19(11-14)17-7-2-3-8-20(17)22/h2-12H,13,22H2,1H3,(H2,23,24)
InChIKeyWDNBDXLBAAAUJU-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.34
Rot. Bonds6

About 2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide

2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide (PubChem CID 66894427) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide
PubChem CID66894427
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide
SMILESCOc1cccc(SCc2ccc(C(N)=O)c(-c3ccccc3N)c2)c1
InChIInChI=1S/C21H20N2O2S/c1-25-15-5-4-6-16(12-15)26-13-14-9-10-18(21(23)24)19(11-14)17-7-2-3-8-20(17)22/h2-12H,13,22H2,1H3,(H2,23,24)
InChIKeyWDNBDXLBAAAUJU-UHFFFAOYSA-N
XLogP4.34
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 106794194
2-chloro-5-[(3-methoxyphenyl)sulfanylmethyl]aniline
CID 43350014
methyl 2-amino-6-[(3-methoxyphenyl)sulfanylmethyl]benzoate
CID 104825676
[2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 65338277
2-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 13154004
2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 63580788
4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
CID 35042620
4-fluoro-2-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 107908839
3-[(4-methoxyphenyl)sulfanylmethyl]benzamide
CID 47172855
[4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63883446
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone
CID 43426414

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide?
The IUPAC name of 2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide (CID 66894427) is 2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for 2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for 2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide is COc1cccc(SCc2ccc(C(N)=O)c(-c3ccccc3N)c2)c1.
What is the InChIKey of 2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide?
The InChIKey is WDNBDXLBAAAUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-25-15-5-4-6-16(12-15)26-13-14-9-10-18(21(23)24)19(11-14)17-7-2-3-8-20(17)22/h2-12H,13,22H2,1H3,(H2,23,24).
What are the key properties of 2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide?
2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide has a molecular weight of 364.47 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 66894427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).