N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide

C18H23N3O2S2 — CID 55411743

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
SMILESCC(C)C(NCC(=O)Nc1ccccc1SCC(N)=O)c1cccs1
InChIInChI=1S/C18H23N3O2S2/c1-12(2)18(15-8-5-9-24-15)20-10-17(23)21-13-6-3-4-7-14(13)25-11-16(19)22/h3-9,12,18,20H,10-11H2,1-2H3,(H2,19,22)(H,21,23)
InChIKeyZYXJEMPSBNGEIA-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.25
Rot. Bonds9

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide (PubChem CID 55411743) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
PubChem CID55411743
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
SMILESCC(C)C(NCC(=O)Nc1ccccc1SCC(N)=O)c1cccs1
InChIInChI=1S/C18H23N3O2S2/c1-12(2)18(15-8-5-9-24-15)20-10-17(23)21-13-6-3-4-7-14(13)25-11-16(19)22/h3-9,12,18,20H,10-11H2,1-2H3,(H2,19,22)(H,21,23)
InChIKeyZYXJEMPSBNGEIA-UHFFFAOYSA-N
XLogP3.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9043953
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CID 63681205
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
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2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide
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2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-methylbutanamide
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N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide
CID 46421409
2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 86909139
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(methylamino)butanamide
CID 54925110
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 78810130
2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 17415532
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-chloro-2-methylpropanamide
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[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 9415076

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide (CID 55411743) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide is CC(C)C(NCC(=O)Nc1ccccc1SCC(N)=O)c1cccs1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide?
The InChIKey is ZYXJEMPSBNGEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-12(2)18(15-8-5-9-24-15)20-10-17(23)21-13-6-3-4-7-14(13)25-11-16(19)22/h3-9,12,18,20H,10-11H2,1-2H3,(H2,19,22)(H,21,23).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide has a molecular weight of 377.54 g/mol, XLogP of 3.25, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide is sourced from PubChem (CID 55411743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).