N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide

C15H18N4O2S — CID 9200888

IUPACN-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CSc2nccn2C)c1
InChIInChI=1S/C15H18N4O2S/c1-3-16-14(21)11-5-4-6-12(9-11)18-13(20)10-22-15-17-7-8-19(15)2/h4-9H,3,10H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyAEXRCZYWQQFBLI-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.90
Rot. Bonds6

About N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide

N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide (PubChem CID 9200888) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
PubChem CID9200888
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CSc2nccn2C)c1
InChIInChI=1S/C15H18N4O2S/c1-3-16-14(21)11-5-4-6-12(9-11)18-13(20)10-22-15-17-7-8-19(15)2/h4-9H,3,10H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyAEXRCZYWQQFBLI-UHFFFAOYSA-N
XLogP1.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-[[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]amino]benzamide
CID 24620396
N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 581967
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
3-acetamido-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide
CID 39969916
N-(3-butoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 3855458
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833
N-ethyl-3-[[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 51215141
N-ethyl-3-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 42115923
N-(2-hydroxyphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18138392
3-[2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide
CID 46335268
N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 17418273
N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
CID 27971771

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide (CID 9200888) is N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)CSc2nccn2C)c1.
What is the InChIKey of N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is AEXRCZYWQQFBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-16-14(21)11-5-4-6-12(9-11)18-13(20)10-22-15-17-7-8-19(15)2/h4-9H,3,10H2,1-2H3,(H,16,21)(H,18,20).
What are the key properties of N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide?
N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 318.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 9200888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).