N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide

C18H18ClNO3S — CID 17484910

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCSc3ccc(Cl)cc32)cc1OC
InChIInChI=1S/C18H18ClNO3S/c1-22-15-5-3-11(9-16(15)23-2)18(21)20-14-7-8-24-17-6-4-12(19)10-13(14)17/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,21)
InChIKeySOIHAXQTQVMJSW-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.32
Rot. Bonds4

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide (PubChem CID 17484910) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide
PubChem CID17484910
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCSc3ccc(Cl)cc32)cc1OC
InChIInChI=1S/C18H18ClNO3S/c1-22-15-5-3-11(9-16(15)23-2)18(21)20-14-7-8-24-17-6-4-12(19)10-13(14)17/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,21)
InChIKeySOIHAXQTQVMJSW-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 60697768
4-(difluoromethoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybenzamide
CID 24509572
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
CID 17479306
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46656428
(E)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 46524362
5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide
CID 25400960
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 46649804
2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 24547806
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide
CID 46445574
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide
CID 43045487
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxybutanamide
CID 47082557
3-chloro-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468668

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide (CID 17484910) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCSc3ccc(Cl)cc32)cc1OC.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide?
The InChIKey is SOIHAXQTQVMJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-22-15-5-3-11(9-16(15)23-2)18(21)20-14-7-8-24-17-6-4-12(19)10-13(14)17/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,21).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide has a molecular weight of 363.87 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 17484910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).