2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide

C26H19Cl2N3O3S — CID 18924889

IUPAC2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1C(=O)N1CCc2scnc2-c2ccccc21
InChIInChI=1S/C26H19Cl2N3O3S/c1-34-22-13-16(30-25(32)17-8-6-15(27)12-20(17)28)7-9-19(22)26(33)31-11-10-23-24(29-14-35-23)18-4-2-3-5-21(18)31/h2-9,12-14H,10-11H2,1H3,(H,30,32)
InChIKeySUDROOSCBQQWGJ-UHFFFAOYSA-N
MW524.43 g/mol
LogP6.58
Rot. Bonds4

About 2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide

2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide (PubChem CID 18924889) has the molecular formula C26H19Cl2N3O3S and a molecular weight of 524.43 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide
PubChem CID18924889
Molecular FormulaC26H19Cl2N3O3S
Molecular Weight524.43 g/mol
Exact Mass523.05
IUPAC Name2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1C(=O)N1CCc2scnc2-c2ccccc21
InChIInChI=1S/C26H19Cl2N3O3S/c1-34-22-13-16(30-25(32)17-8-6-15(27)12-20(17)28)7-9-19(22)26(33)31-11-10-23-24(29-14-35-23)18-4-2-3-5-21(18)31/h2-9,12-14H,10-11H2,1H3,(H,30,32)
InChIKeySUDROOSCBQQWGJ-UHFFFAOYSA-N
XLogP6.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.43
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691
N-[4-[5-(2-amino-2-oxoethoxy)-7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxyphenyl]-2-chlorobenzamide
CID 18917221
N-benzyl-5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42660137
2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863
2-chloro-N-[4-[7-chloro-5-[2-(cyclopropylamino)ethoxy]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxyphenyl]benzamide;hydrochloride
CID 18917457
N-[4-[7-chloro-4-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxyphenyl]-2-methylbenzamide
CID 70061668
2-[1-[2-methoxy-4-[[2-(4-methylphenyl)benzoyl]amino]benzoyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid
CID 22405190
5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 42755759
N-[3-chloro-4-(5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 19608146
2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
CID 70059373
N-[4-(6,7-dihydropyrrolo[2,1-d][1,5]benzodiazepine-5-carbonyl)-3-methoxyphenyl]-3-fluoro-2-methylbenzamide
CID 57032462
N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 19607836

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide (CID 18924889) is 2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide is COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1C(=O)N1CCc2scnc2-c2ccccc21.
What is the InChIKey of 2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide?
The InChIKey is SUDROOSCBQQWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N3O3S/c1-34-22-13-16(30-25(32)17-8-6-15(27)12-20(17)28)7-9-19(22)26(33)31-11-10-23-24(29-14-35-23)18-4-2-3-5-21(18)31/h2-9,12-14H,10-11H2,1H3,(H,30,32).
What are the key properties of 2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide?
2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide has a molecular weight of 524.43 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide is sourced from PubChem (CID 18924889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).