2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide

C17H20N2OS — CID 43786495

IUPAC2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide
SMILESCc1cccc(C(C)Nc2ccccc2SCC(N)=O)c1
InChIInChI=1S/C17H20N2OS/c1-12-6-5-7-14(10-12)13(2)19-15-8-3-4-9-16(15)21-11-17(18)20/h3-10,13,19H,11H2,1-2H3,(H2,18,20)
InChIKeyKIQNNYHASWQECX-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.75
Rot. Bonds6

About 2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide

2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide (PubChem CID 43786495) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide
PubChem CID43786495
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide
SMILESCc1cccc(C(C)Nc2ccccc2SCC(N)=O)c1
InChIInChI=1S/C17H20N2OS/c1-12-6-5-7-14(10-12)13(2)19-15-8-3-4-9-16(15)21-11-17(18)20/h3-10,13,19H,11H2,1-2H3,(H2,18,20)
InChIKeyKIQNNYHASWQECX-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-methylphenyl)propanamide
CID 9044547
2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide
CID 7997045
2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide
CID 43722596
2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide
CID 43786501
2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide
CID 46700581
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide
CID 43722576
2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide
CID 36676700
2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722597
2-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]sulfanylacetamide
CID 107441649
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide (CID 43786495) is 2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide is Cc1cccc(C(C)Nc2ccccc2SCC(N)=O)c1.
What is the InChIKey of 2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide?
The InChIKey is KIQNNYHASWQECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-6-5-7-14(10-12)13(2)19-15-8-3-4-9-16(15)21-11-17(18)20/h3-10,13,19H,11H2,1-2H3,(H2,18,20).
What are the key properties of 2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide?
2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide has a molecular weight of 300.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 43786495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).