N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide

C20H22N2O2S — CID 7493434

IUPACN-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(CSc2nc3c(C)cccc3o2)cc1
InChIInChI=1S/C20H22N2O2S/c1-4-14(3)21-19(23)16-10-8-15(9-11-16)12-25-20-22-18-13(2)6-5-7-17(18)24-20/h5-11,14H,4,12H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyOZSWOVRDURAWJD-CQSZACIVSA-N
MW354.48 g/mol
LogP4.96
Rot. Bonds6

About N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide

N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 7493434) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
PubChem CID7493434
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(CSc2nc3c(C)cccc3o2)cc1
InChIInChI=1S/C20H22N2O2S/c1-4-14(3)21-19(23)16-10-8-15(9-11-16)12-25-20-22-18-13(2)6-5-7-17(18)24-20/h5-11,14H,4,12H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyOZSWOVRDURAWJD-CQSZACIVSA-N
XLogP4.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide with MolForge

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Related Compounds

3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 811225
3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 7236992
5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide
CID 1200833
N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 42771845
1-[4-[3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone
CID 5243267
[4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3694638
dimethyl-[2-[[5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]ethyl]azanium
CID 7328120
3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 42771885
N-ethoxy-2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide
CID 3982998
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
[4-(2-chlorophenyl)piperazin-1-yl]-[3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]methanone
CID 5211155
N-butan-2-yl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916786

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide (CID 7493434) is N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide is CC[C@@H](C)NC(=O)c1ccc(CSc2nc3c(C)cccc3o2)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is OZSWOVRDURAWJD-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-4-14(3)21-19(23)16-10-8-15(9-11-16)12-25-20-22-18-13(2)6-5-7-17(18)24-20/h5-11,14H,4,12H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide?
N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 354.48 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 7493434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).