N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide

C13H16N4O3S — CID 63938687

IUPACN-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H16N4O3S/c1-17(9-12-14-7-8-15-12)13(18)10-3-5-11(6-4-10)16-21(2,19)20/h3-8,16H,9H2,1-2H3,(H,14,15)
InChIKeyMPUSJCFJJBMWGB-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.05
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide

N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide (PubChem CID 63938687) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide
PubChem CID63938687
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H16N4O3S/c1-17(9-12-14-7-8-15-12)13(18)10-3-5-11(6-4-10)16-21(2,19)20/h3-8,16H,9H2,1-2H3,(H,14,15)
InChIKeyMPUSJCFJJBMWGB-UHFFFAOYSA-N
XLogP1.05
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 64519117
N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999017
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 63940992
N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 63930568
5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 104641533
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 64519698
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 50954561

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide (CID 63938687) is N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide is CN(Cc1ncc[nH]1)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is MPUSJCFJJBMWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-17(9-12-14-7-8-15-12)13(18)10-3-5-11(6-4-10)16-21(2,19)20/h3-8,16H,9H2,1-2H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide?
N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 308.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 63938687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).