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

C17H18N2OS — CID 104897215

IUPAC(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide
SMILESN[C@H](C(=O)NC1CCSc2ccccc21)c1ccccc1
InChIInChI=1S/C17H18N2OS/c18-16(12-6-2-1-3-7-12)17(20)19-14-10-11-21-15-9-5-4-8-13(14)15/h1-9,14,16H,10-11,18H2,(H,19,20)/t14?,16-/m0/s1
InChIKeySMICVUGHDWRFNL-WMCAAGNKSA-N
MW298.41 g/mol
LogP3.04
Rot. Bonds3

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

(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide (PubChem CID 104897215) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide
PubChem CID104897215
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide
SMILESN[C@H](C(=O)NC1CCSc2ccccc21)c1ccccc1
InChIInChI=1S/C17H18N2OS/c18-16(12-6-2-1-3-7-12)17(20)19-14-10-11-21-15-9-5-4-8-13(14)15/h1-9,14,16H,10-11,18H2,(H,19,20)/t14?,16-/m0/s1
InChIKeySMICVUGHDWRFNL-WMCAAGNKSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 79024984
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 107903329
(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
2-amino-2-phenyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide;hydrochloride
CID 119310398
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methylsulfanylbutanamide
CID 61154285
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933647
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide
CID 120587017
N-[1-(3,4-dihydro-2H-thiochromen-4-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 42929757
N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 39546590
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
2-amino-2-phenyl-N-(thiolan-3-yl)acetamide
CID 103797147

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide (CID 104897215) is (2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide is N[C@H](C(=O)NC1CCSc2ccccc21)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide?
The InChIKey is SMICVUGHDWRFNL-WMCAAGNKSA-N. The full InChI is InChI=1S/C17H18N2OS/c18-16(12-6-2-1-3-7-12)17(20)19-14-10-11-21-15-9-5-4-8-13(14)15/h1-9,14,16H,10-11,18H2,(H,19,20)/t14?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide?
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide has a molecular weight of 298.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide is sourced from PubChem (CID 104897215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).