N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide

C18H21NOS — CID 9172998

IUPACN-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-13(2)21-17-12-8-7-11-16(17)18(20)19-14(3)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyJSVKTXXOIMXANF-CQSZACIVSA-N
MW299.44 g/mol
LogP4.68
Rot. Bonds5

About N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide

N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide (PubChem CID 9172998) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
PubChem CID9172998
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-13(2)21-17-12-8-7-11-16(17)18(20)19-14(3)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyJSVKTXXOIMXANF-CQSZACIVSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 95375385
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 78771297
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
(2R)-4-methyl-2-[(2-propan-2-ylsulfanylbenzoyl)amino]pentanoic acid
CID 119363699
N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide
CID 10531743
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide (CID 9172998) is N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide?
The InChIKey is JSVKTXXOIMXANF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13(2)21-17-12-8-7-11-16(17)18(20)19-14(3)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide?
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide has a molecular weight of 299.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 9172998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).