N-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide

C19H24N2OS — CID 120504581

IUPACN-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide
SMILESCc1ccc(C)c(SCc2cccc(C(=O)N[C@@H](C)CN)c2)c1
InChIInChI=1S/C19H24N2OS/c1-13-7-8-14(2)18(9-13)23-12-16-5-4-6-17(10-16)19(22)21-15(3)11-20/h4-10,15H,11-12,20H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyGISMLZIMNYXVHZ-HNNXBMFYSA-N
MW328.48 g/mol
LogP3.67
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide

N-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide (PubChem CID 120504581) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide
PubChem CID120504581
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide
SMILESCc1ccc(C)c(SCc2cccc(C(=O)N[C@@H](C)CN)c2)c1
InChIInChI=1S/C19H24N2OS/c1-13-7-8-14(2)18(9-13)23-12-16-5-4-6-17(10-16)19(22)21-15(3)11-20/h4-10,15H,11-12,20H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyGISMLZIMNYXVHZ-HNNXBMFYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-[(2,4-dimethylphenyl)sulfanylmethyl]benzamide
CID 120505513
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 63581632
3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 62995433
(3-aminopiperidin-1-yl)-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]methanone
CID 119381254
3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
CID 55213516
N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride
CID 120507815
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709
1,4-diazepan-1-yl-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]methanone
CID 119418191
N-[(2S)-3-methylbutan-2-yl]-3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
CID 6402544
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide (CID 120504581) is N-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide is Cc1ccc(C)c(SCc2cccc(C(=O)N[C@@H](C)CN)c2)c1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide?
The InChIKey is GISMLZIMNYXVHZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-13-7-8-14(2)18(9-13)23-12-16-5-4-6-17(10-16)19(22)21-15(3)11-20/h4-10,15H,11-12,20H2,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide?
N-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide has a molecular weight of 328.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-[(2,5-dimethylphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 120504581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).