3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide

C15H18N4O2S — CID 27312364

IUPAC3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide
SMILESCn1ccnc1SCC(=O)N(CCC(N)=O)c1ccccc1
InChIInChI=1S/C15H18N4O2S/c1-18-10-8-17-15(18)22-11-14(21)19(9-7-13(16)20)12-5-3-2-4-6-12/h2-6,8,10H,7,9,11H2,1H3,(H2,16,20)
InChIKeyNGDZBWJJJSWRJT-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.42
Rot. Bonds7

About 3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide

3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide (PubChem CID 27312364) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide
PubChem CID27312364
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide
SMILESCn1ccnc1SCC(=O)N(CCC(N)=O)c1ccccc1
InChIInChI=1S/C15H18N4O2S/c1-18-10-8-17-15(18)22-11-14(21)19(9-7-13(16)20)12-5-3-2-4-6-12/h2-6,8,10H,7,9,11H2,1H3,(H2,16,20)
InChIKeyNGDZBWJJJSWRJT-UHFFFAOYSA-N
XLogP1.42
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide
CID 27320070
2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 47095379
3-(N-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide
CID 33014659
3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide
CID 27312033
3-(N-[2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide
CID 55448559
3-(N-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)propanamide
CID 37284481
3-(N-[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)propanamide
CID 27320646
3-(N-[2-(1-benzyltetrazol-5-yl)sulfanylacetyl]-4-methoxyanilino)propanamide
CID 24574097
3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
CID 119275160
3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide
CID 41472991
3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide
CID 27191122
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide?
The IUPAC name of 3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide (CID 27312364) is 3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide.
What is the SMILES notation for 3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide?
The canonical SMILES for 3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide is Cn1ccnc1SCC(=O)N(CCC(N)=O)c1ccccc1.
What is the InChIKey of 3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide?
The InChIKey is NGDZBWJJJSWRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-18-10-8-17-15(18)22-11-14(21)19(9-7-13(16)20)12-5-3-2-4-6-12/h2-6,8,10H,7,9,11H2,1H3,(H2,16,20).
What are the key properties of 3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide?
3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide has a molecular weight of 318.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide is sourced from PubChem (CID 27312364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).