2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide

C19H23N3OS — CID 119869757

IUPAC2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
SMILESNc1ccc(CC(=O)Nc2cccc(CN3CCSCC3)c2)cc1
InChIInChI=1S/C19H23N3OS/c20-17-6-4-15(5-7-17)13-19(23)21-18-3-1-2-16(12-18)14-22-8-10-24-11-9-22/h1-7,12H,8-11,13-14,20H2,(H,21,23)
InChIKeyDQCPENLRHBTVOF-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.00
Rot. Bonds5

About 2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide

2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 119869757) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
PubChem CID119869757
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
SMILESNc1ccc(CC(=O)Nc2cccc(CN3CCSCC3)c2)cc1
InChIInChI=1S/C19H23N3OS/c20-17-6-4-15(5-7-17)13-19(23)21-18-3-1-2-16(12-18)14-22-8-10-24-11-9-22/h1-7,12H,8-11,13-14,20H2,(H,21,23)
InChIKeyDQCPENLRHBTVOF-UHFFFAOYSA-N
XLogP3.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.00
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

1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869772
2-pyrrolidin-2-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869806
N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide
CID 49005460
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56545126
2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 34454824
2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 49005209
(E)-3-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 10830868
4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645739
3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869797
2-(4-aminophenyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119847246
2-(aminomethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119869794
N-[3-(thiomorpholin-4-ylmethyl)phenyl]ethanesulfonamide
CID 86803114

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide (CID 119869757) is 2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide is Nc1ccc(CC(=O)Nc2cccc(CN3CCSCC3)c2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is DQCPENLRHBTVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c20-17-6-4-15(5-7-17)13-19(23)21-18-3-1-2-16(12-18)14-22-8-10-24-11-9-22/h1-7,12H,8-11,13-14,20H2,(H,21,23).
What are the key properties of 2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 341.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 119869757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).