4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide

C20H17ClN2O2S — CID 126058168

IUPAC4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
SMILESCOc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(Cl)cc3)sc1CC2
InChIInChI=1S/C20H17ClN2O2S/c1-11-9-15-13(10-16(11)25-2)5-8-17-18(15)22-20(26-17)23-19(24)12-3-6-14(21)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,22,23,24)
InChIKeyCJNWQYMWACTOGV-UHFFFAOYSA-N
MW384.89 g/mol
LogP5.13
Rot. Bonds3

About 4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide

4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide (PubChem CID 126058168) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is 4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
PubChem CID126058168
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
SMILESCOc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(Cl)cc3)sc1CC2
InChIInChI=1S/C20H17ClN2O2S/c1-11-9-15-13(10-16(11)25-2)5-8-17-18(15)22-20(26-17)23-19(24)12-3-6-14(21)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,22,23,24)
InChIKeyCJNWQYMWACTOGV-UHFFFAOYSA-N
XLogP5.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
CID 769130
4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 4103019
2-[(4-chlorobenzoyl)amino]-N-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947467
N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-methylbenzamide
CID 4107573
2-fluoro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 1209992
2-[(4-chlorobenzoyl)amino]-N-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945465
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565109
N-(5-chloro-2-methoxyphenyl)-2-(2,2-dimethylpropanoylamino)-5,8-dihydro-4H-pyrrolo[2,3-e][1,3]benzothiazole-7-carboxamide
CID 155815011
2-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitrobenzamide
CID 126065626
2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
CID 50939132
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 18224890
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide (CID 126058168) is 4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide is COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(Cl)cc3)sc1CC2.
What is the InChIKey of 4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The InChIKey is CJNWQYMWACTOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-11-9-15-13(10-16(11)25-2)5-8-17-18(15)22-20(26-17)23-19(24)12-3-6-14(21)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,22,23,24).
What are the key properties of 4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 384.89 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 126058168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).