2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide

C18H20N2OS — CID 120587017

IUPAC2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide
SMILESCC(N)(C(=O)NC1CCSc2ccccc21)c1ccccc1
InChIInChI=1S/C18H20N2OS/c1-18(19,13-7-3-2-4-8-13)17(21)20-15-11-12-22-16-10-6-5-9-14(15)16/h2-10,15H,11-12,19H2,1H3,(H,20,21)
InChIKeyXYAIOEKZDOWALQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.21
Rot. Bonds3

About 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide

2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide (PubChem CID 120587017) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide
PubChem CID120587017
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide
SMILESCC(N)(C(=O)NC1CCSc2ccccc21)c1ccccc1
InChIInChI=1S/C18H20N2OS/c1-18(19,13-7-3-2-4-8-13)17(21)20-15-11-12-22-16-10-6-5-9-14(15)16/h2-10,15H,11-12,19H2,1H3,(H,20,21)
InChIKeyXYAIOEKZDOWALQ-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethylbutanamide
CID 79810400
2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide
CID 120591629
2-amino-N-cycloheptyl-2-phenylpropanamide;hydrochloride
CID 120586523
2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide;hydrochloride
CID 120591605
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide
CID 104897215
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 107903329
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 79024984
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide
CID 7536993
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide
CID 60854166
(R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide
CID 157035340
1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 43697767

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide (CID 120587017) is 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide is CC(N)(C(=O)NC1CCSc2ccccc21)c1ccccc1.
What is the InChIKey of 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide?
The InChIKey is XYAIOEKZDOWALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-18(19,13-7-3-2-4-8-13)17(21)20-15-11-12-22-16-10-6-5-9-14(15)16/h2-10,15H,11-12,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide?
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide is sourced from PubChem (CID 120587017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).