4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide

C20H24ClN3O2S — CID 10024275

IUPAC4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CSCCN1Cc1ccccc1
InChIInChI=1S/C20H24ClN3O2S/c1-26-19-10-18(22)17(21)9-16(19)20(25)23-11-15-13-27-8-7-24(15)12-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-13,22H2,1H3,(H,23,25)
InChIKeyWFHCRYBWYJXBNR-UHFFFAOYSA-N
MW405.95 g/mol
LogP3.28
Rot. Bonds6

About 4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide

4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide (PubChem CID 10024275) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is 4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide
PubChem CID10024275
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC Name4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CSCCN1Cc1ccccc1
InChIInChI=1S/C20H24ClN3O2S/c1-26-19-10-18(22)17(21)9-16(19)20(25)23-11-15-13-27-8-7-24(15)12-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-13,22H2,1H3,(H,23,25)
InChIKeyWFHCRYBWYJXBNR-UHFFFAOYSA-N
XLogP3.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-5-chloro-2-ethoxybenzamide
CID 10093394
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CID 10407929
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
N-[[(3R)-4-benzylthiomorpholin-3-yl]methyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 100633586
5-acetamido-N-[[(3S)-4-benzylthiomorpholin-3-yl]methyl]-2-fluorobenzamide
CID 100632762
4-amino-5-chloro-2-methoxy-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 14877438
(4-amino-5-chloro-2-methoxyphenyl)-(4-benzyl-5-methyl-1,4-diazepan-1-yl)methanone
CID 119897004
4-amino-N-[[1-(4-benzylsulfonylbutyl)piperidin-4-yl]methyl]-5-chloro-2-methoxybenzamide
CID 54165330
4-amino-5-chloro-2-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 119831449
4-amino-5-chloro-N-[[1-[2-(2-hydroxyphenyl)ethenyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 174744727
4-amino-5-chloro-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 45275446
N-[(4-benzylthiomorpholin-3-yl)methyl]but-2-ynamide
CID 146083677

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide?
The IUPAC name of 4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide (CID 10024275) is 4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for 4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCC1CSCCN1Cc1ccccc1.
What is the InChIKey of 4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide?
The InChIKey is WFHCRYBWYJXBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-26-19-10-18(22)17(21)9-16(19)20(25)23-11-15-13-27-8-7-24(15)12-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-13,22H2,1H3,(H,23,25).
What are the key properties of 4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide?
4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide has a molecular weight of 405.95 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 10024275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).