N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

C18H16ClN3OS — CID 20948598

IUPACN-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1nn(C)c2c1CCc1sccc1-2
InChIInChI=1S/C18H16ClN3OS/c1-10-9-11(19)3-5-14(10)20-18(23)16-13-4-6-15-12(7-8-24-15)17(13)22(2)21-16/h3,5,7-9H,4,6H2,1-2H3,(H,20,23)
InChIKeyYVFMMCVUJFNDJQ-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.46
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (PubChem CID 20948598) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
PubChem CID20948598
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC NameN-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1nn(C)c2c1CCc1sccc1-2
InChIInChI=1S/C18H16ClN3OS/c1-10-9-11(19)3-5-14(10)20-18(23)16-13-4-6-15-12(7-8-24-15)17(13)22(2)21-16/h3,5,7-9H,4,6H2,1-2H3,(H,20,23)
InChIKeyYVFMMCVUJFNDJQ-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948601
N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948585
N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943514
N-(2,4-dimethylphenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389070
1-methyl-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389064
5-chloro-N-(4-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 17432904
N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696195
N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20964659
N-(2,4-difluorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389134
8-chloro-N-(3,5-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000429
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(4-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2671075

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (CID 20948598) is N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1nn(C)c2c1CCc1sccc1-2.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The InChIKey is YVFMMCVUJFNDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-10-9-11(19)3-5-14(10)20-18(23)16-13-4-6-15-12(7-8-24-15)17(13)22(2)21-16/h3,5,7-9H,4,6H2,1-2H3,(H,20,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide has a molecular weight of 357.87 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is sourced from PubChem (CID 20948598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).