N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide

C22H21NOS — CID 94018618

IUPACN-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide
SMILESCc1ccccc1[C@H](NC(=O)CSc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NOS/c1-17-10-8-9-15-20(17)22(18-11-4-2-5-12-18)23-21(24)16-25-19-13-6-3-7-14-19/h2-15,22H,16H2,1H3,(H,23,24)/t22-/m1/s1
InChIKeyJRVVVUPWTLQQSH-JOCHJYFZSA-N
MW347.48 g/mol
LogP4.99
Rot. Bonds6

About N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide

N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide (PubChem CID 94018618) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide
PubChem CID94018618
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC NameN-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide
SMILESCc1ccccc1[C@H](NC(=O)CSc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NOS/c1-17-10-8-9-15-20(17)22(18-11-4-2-5-12-18)23-21(24)16-25-19-13-6-3-7-14-19/h2-15,22H,16H2,1H3,(H,23,24)/t22-/m1/s1
InChIKeyJRVVVUPWTLQQSH-JOCHJYFZSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487345
2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100602252
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide (CID 94018618) is N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide is Cc1ccccc1[C@H](NC(=O)CSc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide?
The InChIKey is JRVVVUPWTLQQSH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21NOS/c1-17-10-8-9-15-20(17)22(18-11-4-2-5-12-18)23-21(24)16-25-19-13-6-3-7-14-19/h2-15,22H,16H2,1H3,(H,23,24)/t22-/m1/s1.
What are the key properties of N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide?
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide has a molecular weight of 347.48 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 94018618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).