2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C17H22N4O3S2 — CID 4879088

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCn1ccnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H22N4O3S2/c1-20-11-8-18-17(20)25-13-16(22)19-14-6-5-7-15(12-14)26(23,24)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,19,22)
InChIKeyIBQXJGQXECZSMD-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.33
Rot. Bonds6

About 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4879088) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4879088
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCn1ccnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H22N4O3S2/c1-20-11-8-18-17(20)25-13-16(22)19-14-6-5-7-15(12-14)26(23,24)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,19,22)
InChIKeyIBQXJGQXECZSMD-UHFFFAOYSA-N
XLogP2.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 5213583
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 16293039
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-phenylpiperazine
CID 20958596
2-(1-Methyl-1H-imidazol-2-ylsulfanyl)-N-phenyl-acetamide
CID 3142098
US8980932, 4d (DH302)
CID 57413826
N-{4-[(4-methyl-1H-imidazol-1-yl)sulfonyl]phenyl}acetamide
CID 651514
1-[3-(Dimethylsulfamoyl)phenyl]-3-(3-imidazol-1-ylpropyl)thiourea
CID 3968679
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4401715
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 4663825
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4878648
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4878783
1-(1H-imidazol-5-ylsulfonyl)-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 5309367

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 4879088) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is Cn1ccnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is IBQXJGQXECZSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-20-11-8-18-17(20)25-13-16(22)19-14-6-5-7-15(12-14)26(23,24)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,19,22).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4879088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).