2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide

C19H18N2O2S — CID 95160669

IUPAC2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide
SMILESN#Cc1ccc(SCC(=O)NC[C@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C19H18N2O2S/c20-10-14-5-7-17(8-6-14)24-13-19(22)21-11-15-9-16-3-1-2-4-18(16)23-12-15/h1-8,15H,9,11-13H2,(H,21,22)/t15-/m0/s1
InChIKeyCDZUOIIKVCULEH-HNNXBMFYSA-N
MW338.43 g/mol
LogP3.02
Rot. Bonds5

About 2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide

2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide (PubChem CID 95160669) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide
PubChem CID95160669
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide
SMILESN#Cc1ccc(SCC(=O)NC[C@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C19H18N2O2S/c20-10-14-5-7-17(8-6-14)24-13-19(22)21-11-15-9-16-3-1-2-4-18(16)23-12-15/h1-8,15H,9,11-13H2,(H,21,22)/t15-/m0/s1
InChIKeyCDZUOIIKVCULEH-HNNXBMFYSA-N
XLogP3.02
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
CID 51212134
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 72897387
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide
CID 97278413
1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
CID 55769875
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 51212154
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
CID 94513083
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55514058
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide
CID 55394879
(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide
CID 47143635
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 74237200

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide (CID 95160669) is 2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide is N#Cc1ccc(SCC(=O)NC[C@H]2COc3ccccc3C2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide?
The InChIKey is CDZUOIIKVCULEH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c20-10-14-5-7-17(8-6-14)24-13-19(22)21-11-15-9-16-3-1-2-4-18(16)23-12-15/h1-8,15H,9,11-13H2,(H,21,22)/t15-/m0/s1.
What are the key properties of 2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide?
2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide has a molecular weight of 338.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide is sourced from PubChem (CID 95160669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).