N-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide

C12H15N3O3S2 — CID 2148546

IUPACN-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide
SMILESCSC1=NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H15N3O3S2/c1-9(16)14-10-3-5-11(6-4-10)20(17,18)15-8-7-13-12(15)19-2/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyMJUIFVHTNWAIAQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.37
Rot. Bonds3

About N-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide

N-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide (PubChem CID 2148546) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide
PubChem CID2148546
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide
SMILESCSC1=NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H15N3O3S2/c1-9(16)14-10-3-5-11(6-4-10)20(17,18)15-8-7-13-12(15)19-2/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyMJUIFVHTNWAIAQ-UHFFFAOYSA-N
XLogP1.37
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 87925
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CID 135413939
4-[(4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 135422576
N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
CID 720658
N-{4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)(phenyl)sulfamoyl]phenyl}acetamide
CID 2965080
N-[4-(1,3-thiazolidin-3-ylsulfonyl)phenyl]acetamide
CID 852123
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 2128213
N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzene-1-sulfonamide
CID 3529995
N-(4-{[(5-allyl-1,3,5-triazinan-2-ylidene)amino]sulfonyl}phenyl)acetamide
CID 705651
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-sulfamoylphenyl)butanamide
CID 2871292
2-[(4-hydroxy-6-methyl-2-pyrimidinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide
CID 135406349

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide (CID 2148546) is N-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide is CSC1=NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide?
The InChIKey is MJUIFVHTNWAIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-9(16)14-10-3-5-11(6-4-10)20(17,18)15-8-7-13-12(15)19-2/h3-6H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide?
N-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide is sourced from PubChem (CID 2148546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).