N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

C14H25N5O3S — CID 125005074

IUPACN-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCCN(CC)S(=O)(=O)N1CC[C@@H](c2ncc(CNC(C)=O)[nH]2)C1
InChIInChI=1S/C14H25N5O3S/c1-4-18(5-2)23(21,22)19-7-6-12(10-19)14-16-9-13(17-14)8-15-11(3)20/h9,12H,4-8,10H2,1-3H3,(H,15,20)(H,16,17)/t12-/m1/s1
InChIKeyTWSHCECJIMJUQK-GFCCVEGCSA-N
MW343.45 g/mol
LogP0.42
Rot. Bonds7

About N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (PubChem CID 125005074) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
PubChem CID125005074
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC NameN-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCCN(CC)S(=O)(=O)N1CC[C@@H](c2ncc(CNC(C)=O)[nH]2)C1
InChIInChI=1S/C14H25N5O3S/c1-4-18(5-2)23(21,22)19-7-6-12(10-19)14-16-9-13(17-14)8-15-11(3)20/h9,12H,4-8,10H2,1-3H3,(H,15,20)(H,16,17)/t12-/m1/s1
InChIKeyTWSHCECJIMJUQK-GFCCVEGCSA-N
XLogP0.42
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
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N-[[2-[(3S)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide
CID 124962322
3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide
CID 42936634
N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125003728
N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide
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N-[[2-[4-(5-ethyl-1,2-oxazole-3-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (CID 125005074) is N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is CCN(CC)S(=O)(=O)N1CC[C@@H](c2ncc(CNC(C)=O)[nH]2)C1.
What is the InChIKey of N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The InChIKey is TWSHCECJIMJUQK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-4-18(5-2)23(21,22)19-7-6-12(10-19)14-16-9-13(17-14)8-15-11(3)20/h9,12H,4-8,10H2,1-3H3,(H,15,20)(H,16,17)/t12-/m1/s1.
What are the key properties of N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 125005074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).