N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C12H16N4O3S2 — CID 63939841

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(Cc1ncc[nH]1)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H16N4O3S2/c1-15(8-10-13-5-6-14-10)11(17)9-16(2)21(18,19)12-4-3-7-20-12/h3-7H,8-9H2,1-2H3,(H,13,14)
InChIKeyNMARWZFGOOFLDI-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.75
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 63939841) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID63939841
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(Cc1ncc[nH]1)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H16N4O3S2/c1-15(8-10-13-5-6-14-10)11(17)9-16(2)21(18,19)12-4-3-7-20-12/h3-7H,8-9H2,1-2H3,(H,13,14)
InChIKeyNMARWZFGOOFLDI-UHFFFAOYSA-N
XLogP0.75
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide
CID 18117309
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 63939846
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18116994
N,N-bis(2-methoxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55327809
N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
CID 43573487
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 31798887
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 63929532
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide
CID 76928975
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 64510074

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 63939841) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(Cc1ncc[nH]1)C(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is NMARWZFGOOFLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c1-15(8-10-13-5-6-14-10)11(17)9-16(2)21(18,19)12-4-3-7-20-12/h3-7H,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 328.42 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 63939841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).