N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide

C19H19N3O3S — CID 40821023

IUPACN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
SMILESCn1ccnc1[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-22-12-11-20-18(22)17(14-7-4-3-5-8-14)21-19(23)15-9-6-10-16(13-15)26(2,24)25/h3-13,17H,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyJNWHTGKMAFQCNQ-KRWDZBQOSA-N
MW369.45 g/mol
LogP2.34
Rot. Bonds5

About N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide

N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide (PubChem CID 40821023) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
PubChem CID40821023
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
SMILESCn1ccnc1[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-22-12-11-20-18(22)17(14-7-4-3-5-8-14)21-19(23)15-9-6-10-16(13-15)26(2,24)25/h3-13,17H,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyJNWHTGKMAFQCNQ-KRWDZBQOSA-N
XLogP2.34
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 55461455
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 46512935
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide
CID 25390282
3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 37281759
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46696472

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide (CID 40821023) is N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide is Cn1ccnc1[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1.
What is the InChIKey of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide?
The InChIKey is JNWHTGKMAFQCNQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-22-12-11-20-18(22)17(14-7-4-3-5-8-14)21-19(23)15-9-6-10-16(13-15)26(2,24)25/h3-13,17H,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide?
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide has a molecular weight of 369.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 40821023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).