N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide

C19H19N3OS — CID 40809503

IUPACN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
SMILESCn1ccnc1[C@H](NC(=O)CSc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-22-13-12-20-19(22)18(15-8-4-2-5-9-15)21-17(23)14-24-16-10-6-3-7-11-16/h2-13,18H,14H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyDBICZNIEDHMQTB-GOSISDBHSA-N
MW337.45 g/mol
LogP3.42
Rot. Bonds6

About N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide (PubChem CID 40809503) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
PubChem CID40809503
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
SMILESCn1ccnc1[C@H](NC(=O)CSc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-22-13-12-20-19(22)18(15-8-4-2-5-9-15)21-17(23)14-24-16-10-6-3-7-11-16/h2-13,18H,14H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyDBICZNIEDHMQTB-GOSISDBHSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide
CID 40795360
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 25345762
2-(4-tert-butylphenyl)sulfanyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55500150
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24535478
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 43038015
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
2-benzylsulfanyl-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25338698
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 24602582

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide (CID 40809503) is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide is Cn1ccnc1[C@H](NC(=O)CSc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide?
The InChIKey is DBICZNIEDHMQTB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-22-13-12-20-19(22)18(15-8-4-2-5-9-15)21-17(23)14-24-16-10-6-3-7-11-16/h2-13,18H,14H2,1H3,(H,21,23)/t18-/m1/s1.
What are the key properties of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide?
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide has a molecular weight of 337.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 40809503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).