N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide

C19H19N3O3S — CID 17486679

IUPACN-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NC(Cc2ncc[nH]2)c2ccccc2)c1
InChIInChI=1S/C19H19N3O3S/c1-26(24,25)16-9-5-8-15(12-16)19(23)22-17(13-18-20-10-11-21-18)14-6-3-2-4-7-14/h2-12,17H,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyHMSCNXNDTCKSEP-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide

N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide (PubChem CID 17486679) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide
PubChem CID17486679
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NC(Cc2ncc[nH]2)c2ccccc2)c1
InChIInChI=1S/C19H19N3O3S/c1-26(24,25)16-9-5-8-15(12-16)19(23)22-17(13-18-20-10-11-21-18)14-6-3-2-4-7-14/h2-12,17H,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyHMSCNXNDTCKSEP-UHFFFAOYSA-N
XLogP2.53
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 43487152
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
CID 17498145
N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 97249669
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 17458112
N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide
CID 60968772
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 17493216
N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 97066738
3-(4-methylphenyl)-3-[(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 45338533
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide
CID 17454227
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613303
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
CID 40821023
2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide
CID 25345035

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide (CID 17486679) is N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NC(Cc2ncc[nH]2)c2ccccc2)c1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide?
The InChIKey is HMSCNXNDTCKSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-26(24,25)16-9-5-8-15(12-16)19(23)22-17(13-18-20-10-11-21-18)14-6-3-2-4-7-14/h2-12,17H,13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide?
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide has a molecular weight of 369.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 17486679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).