N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide

C18H21N3O2S — CID 43007777

IUPACN-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)NC(C)c2ccncc2)c1
InChIInChI=1S/C18H21N3O2S/c1-13-4-3-5-16(10-13)21-18(23)12-24-11-17(22)20-14(2)15-6-8-19-9-7-15/h3-10,14H,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWDHGOQAVCHVBHQ-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.94
Rot. Bonds7

About N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide

N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide (PubChem CID 43007777) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide
PubChem CID43007777
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)NC(C)c2ccncc2)c1
InChIInChI=1S/C18H21N3O2S/c1-13-4-3-5-16(10-13)21-18(23)12-24-11-17(22)20-14(2)15-6-8-19-9-7-15/h3-10,14H,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWDHGOQAVCHVBHQ-UHFFFAOYSA-N
XLogP2.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9437356
N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409885
2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9221151
N-(3-methylphenyl)-2-[2-[1-(4-methylphenyl)propylamino]-2-oxoethyl]sulfanylacetamide
CID 84973416
N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9296897
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
N-(3-methylphenyl)-2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylacetamide
CID 7731424
2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51284419
N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide
CID 43066568
2-[2-[4-(3,4-difluorophenyl)butan-2-ylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 86894221
N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide
CID 30550797

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide (CID 43007777) is N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide is Cc1cccc(NC(=O)CSCC(=O)NC(C)c2ccncc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide?
The InChIKey is WDHGOQAVCHVBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13-4-3-5-16(10-13)21-18(23)12-24-11-17(22)20-14(2)15-6-8-19-9-7-15/h3-10,14H,11-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide?
N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide has a molecular weight of 343.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide is sourced from PubChem (CID 43007777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).