2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide

C18H21NOS — CID 167985714

IUPAC2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide
SMILESCCSCc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-3-21-13-16-11-7-8-12-17(16)18(20)19-14(2)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyJBGIORJJNVUULC-CQSZACIVSA-N
MW299.44 g/mol
LogP4.43
Rot. Bonds6

About 2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide

2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 167985714) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide
PubChem CID167985714
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide
SMILESCCSCc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-3-21-13-16-11-7-8-12-17(16)18(20)19-14(2)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyJBGIORJJNVUULC-CQSZACIVSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylsulfanylmethyl)benzoic acid
CID 12757760
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide
CID 132556229
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide
CID 10531743
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112761890

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide (CID 167985714) is 2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide is CCSCc1ccccc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is JBGIORJJNVUULC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21NOS/c1-3-21-13-16-11-7-8-12-17(16)18(20)19-14(2)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide?
2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 299.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 167985714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).