N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide

C19H17ClN2O2S — CID 46445574

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCSc4ccc(Cl)cc43)[nH]c2c1
InChIInChI=1S/C19H17ClN2O2S/c1-24-13-4-2-11-8-17(21-16(11)10-13)19(23)22-15-6-7-25-18-5-3-12(20)9-14(15)18/h2-5,8-10,15,21H,6-7H2,1H3,(H,22,23)
InChIKeyOAJTXPVQTYFNIS-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.80
Rot. Bonds3

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide (PubChem CID 46445574) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide
PubChem CID46445574
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCSc4ccc(Cl)cc43)[nH]c2c1
InChIInChI=1S/C19H17ClN2O2S/c1-24-13-4-2-11-8-17(21-16(11)10-13)19(23)22-15-6-7-25-18-5-3-12(20)9-14(15)18/h2-5,8-10,15,21H,6-7H2,1H3,(H,22,23)
InChIKeyOAJTXPVQTYFNIS-UHFFFAOYSA-N
XLogP4.80
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide
CID 125431301
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide
CID 17484910
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
CID 17479306
4-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 60697768
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxybutanamide
CID 47082557
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388829
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43709277
2,3-dichloro-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 46656545
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31692872
N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide
CID 124875145

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide (CID 46445574) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NC3CCSc4ccc(Cl)cc43)[nH]c2c1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is OAJTXPVQTYFNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-24-13-4-2-11-8-17(21-16(11)10-13)19(23)22-15-6-7-25-18-5-3-12(20)9-14(15)18/h2-5,8-10,15,21H,6-7H2,1H3,(H,22,23).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 46445574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).