N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide

C19H20N2O2S — CID 110794991

IUPACN-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCc1ccc2c(c1)CCCS2
InChIInChI=1S/C19H20N2O2S/c22-18(13-21-19(23)15-5-2-1-3-6-15)20-12-14-8-9-17-16(11-14)7-4-10-24-17/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,20,22)(H,21,23)
InChIKeyNQECFGWZIGYSIC-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide

N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide (PubChem CID 110794991) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide
PubChem CID110794991
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCc1ccc2c(c1)CCCS2
InChIInChI=1S/C19H20N2O2S/c22-18(13-21-19(23)15-5-2-1-3-6-15)20-12-14-8-9-17-16(11-14)7-4-10-24-17/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,20,22)(H,21,23)
InChIKeyNQECFGWZIGYSIC-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)-2-(3-phenyloxetan-3-yl)acetamide
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3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide
CID 115154228
ethyl N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)carbamate
CID 110786963
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
CID 110794693
2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
CID 116847499
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
2-(3,4-dihydro-2H-thiochromen-6-ylmethyl)prop-2-enoic acid
CID 116866278
2-[(2-benzamidoacetyl)amino]propanedioic acid
CID 44626300
N'-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl]oxamide
CID 115192143
N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 25343533
N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
CID 9395259

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide (CID 110794991) is N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCc1ccc2c(c1)CCCS2.
What is the InChIKey of N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide?
The InChIKey is NQECFGWZIGYSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-18(13-21-19(23)15-5-2-1-3-6-15)20-12-14-8-9-17-16(11-14)7-4-10-24-17/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide?
N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide has a molecular weight of 340.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 110794991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).