N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

C21H23N3O2S — CID 9037402

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESNC(=O)CSc1ccccc1NC(=O)CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O2S/c22-20(25)15-27-19-9-5-4-8-18(19)23-21(26)14-24-12-10-17(11-13-24)16-6-2-1-3-7-16/h1-10H,11-15H2,(H2,22,25)(H,23,26)
InChIKeySQGDVDGONCTVPA-UHFFFAOYSA-N
MW381.50 g/mol
LogP2.99
Rot. Bonds7

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (PubChem CID 9037402) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
PubChem CID9037402
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESNC(=O)CSc1ccccc1NC(=O)CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O2S/c22-20(25)15-27-19-9-5-4-8-18(19)23-21(26)14-24-12-10-17(11-13-24)16-6-2-1-3-7-16/h1-10H,11-15H2,(H2,22,25)(H,23,26)
InChIKeySQGDVDGONCTVPA-UHFFFAOYSA-N
XLogP2.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8759408
N-(2,5-dimethylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759411
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906291
N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 4844877
N-(2-bromophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125062
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylphenyl)acetamide
CID 18125013
N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 9451916
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 8759636
ethyl (3S)-1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]piperidine-3-carboxylate
CID 9035095
N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide
CID 8758998
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (CID 9037402) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is NC(=O)CSc1ccccc1NC(=O)CN1CC=C(c2ccccc2)CC1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The InChIKey is SQGDVDGONCTVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c22-20(25)15-27-19-9-5-4-8-18(19)23-21(26)14-24-12-10-17(11-13-24)16-6-2-1-3-7-16/h1-10H,11-15H2,(H2,22,25)(H,23,26).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is sourced from PubChem (CID 9037402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).