2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide

C21H24N4OS — CID 23987303

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
SMILESCC(C)N(c1ccccc1)c1ccc(NC(=O)CSc2nccn2C)cc1
InChIInChI=1S/C21H24N4OS/c1-16(2)25(18-7-5-4-6-8-18)19-11-9-17(10-12-19)23-20(26)15-27-21-22-13-14-24(21)3/h4-14,16H,15H2,1-3H3,(H,23,26)
InChIKeyMTRCGBSURVYAAH-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.70
Rot. Bonds7

About 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide (PubChem CID 23987303) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
PubChem CID23987303
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
SMILESCC(C)N(c1ccccc1)c1ccc(NC(=O)CSc2nccn2C)cc1
InChIInChI=1S/C21H24N4OS/c1-16(2)25(18-7-5-4-6-8-18)19-11-9-17(10-12-19)23-20(26)15-27-21-22-13-14-24(21)3/h4-14,16H,15H2,1-3H3,(H,23,26)
InChIKeyMTRCGBSURVYAAH-UHFFFAOYSA-N
XLogP4.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 3370830
N-[4-(diethylamino)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide;sulfuric acid
CID 18774664
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 670611
2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 47095379
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 25358395
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2945851
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460
N-(2-hydroxyphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18138392
N-[1-(2-bromophenyl)ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 24503319
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 581967

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide (CID 23987303) is 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide is CC(C)N(c1ccccc1)c1ccc(NC(=O)CSc2nccn2C)cc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
The InChIKey is MTRCGBSURVYAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-16(2)25(18-7-5-4-6-8-18)19-11-9-17(10-12-19)23-20(26)15-27-21-22-13-14-24(21)3/h4-14,16H,15H2,1-3H3,(H,23,26).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide has a molecular weight of 380.52 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide is sourced from PubChem (CID 23987303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).