N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide

C19H16ClN3O2S — CID 9456862

IUPACN-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1cccc2ccccc12)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H16ClN3O2S/c20-14-8-9-17(21-10-14)23-19(25)12-26-11-18(24)22-16-7-3-5-13-4-1-2-6-15(13)16/h1-10H,11-12H2,(H,22,24)(H,21,23,25)
InChIKeyWDSFAIKMVRCNTB-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.20
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide

N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide (PubChem CID 9456862) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
PubChem CID9456862
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1cccc2ccccc12)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H16ClN3O2S/c20-14-8-9-17(21-10-14)23-19(25)12-26-11-18(24)22-16-7-3-5-13-4-1-2-6-15(13)16/h1-10H,11-12H2,(H,22,24)(H,21,23,25)
InChIKeyWDSFAIKMVRCNTB-UHFFFAOYSA-N
XLogP4.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 2534109
1-(5-chloro-2-pyridinyl)-3-naphthalen-1-ylthiourea
CID 19686288
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide
CID 9457130
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2079261
N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9423860
N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 112815636
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048
N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 51319436
2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-naphthalen-1-ylacetamide
CID 9457671
N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
CID 34136142

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide (CID 9456862) is N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)Nc1cccc2ccccc12)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is WDSFAIKMVRCNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c20-14-8-9-17(21-10-14)23-19(25)12-26-11-18(24)22-16-7-3-5-13-4-1-2-6-15(13)16/h1-10H,11-12H2,(H,22,24)(H,21,23,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide?
N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 385.88 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 9456862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).