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

C18H19ClN2OS — CID 119275002

IUPAC2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C18H19ClN2OS/c19-13-6-7-17-14(11-13)16(8-9-23-17)21-18(22)15(20)10-12-4-2-1-3-5-12/h1-7,11,15-16H,8-10,20H2,(H,21,22)
InChIKeyJXBMDHWPOOAXPR-UHFFFAOYSA-N
MW346.88 g/mol
LogP3.56
Rot. Bonds4

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

2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide (PubChem CID 119275002) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide
PubChem CID119275002
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C18H19ClN2OS/c19-13-6-7-17-14(11-13)16(8-9-23-17)21-18(22)15(20)10-12-4-2-1-3-5-12/h1-7,11,15-16H,8-10,20H2,(H,21,22)
InChIKeyJXBMDHWPOOAXPR-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119696424
(2S)-2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide;hydrochloride
CID 119291334
1-benzyl-3-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)thiourea
CID 42921691
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methylphenyl)acetamide
CID 46656521
(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide
CID 61156315
2-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide
CID 43699787
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxybutanamide
CID 47082557
6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232508
3-(2-aminophenyl)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
CID 120608399
3-amino-4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-4-oxobutanoic acid
CID 64897046
(2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride
CID 119302125
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 79024984

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide (CID 119275002) is 2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide?
The InChIKey is JXBMDHWPOOAXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c19-13-6-7-17-14(11-13)16(8-9-23-17)21-18(22)15(20)10-12-4-2-1-3-5-12/h1-7,11,15-16H,8-10,20H2,(H,21,22).
What are the key properties of 2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide?
2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide has a molecular weight of 346.88 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 119275002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).