(2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide

C18H20N2OS — CID 131863769

IUPAC(2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C18H20N2OS/c1-11(2)9-15(19)18(21)20-12-7-8-17-14(10-12)13-5-3-4-6-16(13)22-17/h3-8,10-11,15H,9,19H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyRZSHEKVUEJZYRE-HNNXBMFYSA-N
MW312.44 g/mol
LogP4.37
Rot. Bonds4

About (2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide

(2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide (PubChem CID 131863769) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is (2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide
PubChem CID131863769
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name(2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C18H20N2OS/c1-11(2)9-15(19)18(21)20-12-7-8-17-14(10-12)13-5-3-4-6-16(13)22-17/h3-8,10-11,15H,9,19H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyRZSHEKVUEJZYRE-HNNXBMFYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
(2R)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 104902766
(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 61179447
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-hydroxybenzoic acid
CID 61159275
(2R)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 104903779
(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 61179769

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide (CID 131863769) is (2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc2sc3ccccc3c2c1.
What is the InChIKey of (2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide?
The InChIKey is RZSHEKVUEJZYRE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-11(2)9-15(19)18(21)20-12-7-8-17-14(10-12)13-5-3-4-6-16(13)22-17/h3-8,10-11,15H,9,19H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide?
(2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide has a molecular weight of 312.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide is sourced from PubChem (CID 131863769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).