N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide

C21H20ClN3O4S2 — CID 39024155

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(C)c(SCC(N)=O)s2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C21H20ClN3O4S2/c1-12-20(30-11-18(23)26)31-21(24-12)25-19(27)13-7-8-16(17(9-13)28-2)29-10-14-5-3-4-6-15(14)22/h3-9H,10-11H2,1-2H3,(H2,23,26)(H,24,25,27)
InChIKeySLDNEGZJJGFZMB-UHFFFAOYSA-N
MW478.00 g/mol
LogP4.52
Rot. Bonds9

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide (PubChem CID 39024155) has the molecular formula C21H20ClN3O4S2 and a molecular weight of 478.00 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide
PubChem CID39024155
Molecular FormulaC21H20ClN3O4S2
Molecular Weight478.00 g/mol
Exact Mass477.06
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(C)c(SCC(N)=O)s2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C21H20ClN3O4S2/c1-12-20(30-11-18(23)26)31-21(24-12)25-19(27)13-7-8-16(17(9-13)28-2)29-10-14-5-3-4-6-15(14)22/h3-9H,10-11H2,1-2H3,(H2,23,26)(H,24,25,27)
InChIKeySLDNEGZJJGFZMB-UHFFFAOYSA-N
XLogP4.52
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 39026069
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55653409
4-[(2-chlorophenyl)methoxy]-3-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 55363499
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 39026226
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide
CID 55583774
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(1,3-dithiolan-2-yl)benzamide
CID 39025643
3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 145489208
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1398313
4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 25352738
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 39024284
4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide
CID 47916263
4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide
CID 55619649

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide (CID 39024155) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide is COc1cc(C(=O)Nc2nc(C)c(SCC(N)=O)s2)ccc1OCc1ccccc1Cl.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide?
The InChIKey is SLDNEGZJJGFZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S2/c1-12-20(30-11-18(23)26)31-21(24-12)25-19(27)13-7-8-16(17(9-13)28-2)29-10-14-5-3-4-6-15(14)22/h3-9H,10-11H2,1-2H3,(H2,23,26)(H,24,25,27).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide has a molecular weight of 478.00 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 39024155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).