(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide

C14H18N2OS — CID 61179447

IUPAC(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C14H18N2OS/c1-9(2)7-12(15)14(17)16-11-3-4-13-10(8-11)5-6-18-13/h3-6,8-9,12H,7,15H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyICVAAHGQRNFSJR-LBPRGKRZSA-N
MW262.38 g/mol
LogP3.21
Rot. Bonds4

About (2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide

(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide (PubChem CID 61179447) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
PubChem CID61179447
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C14H18N2OS/c1-9(2)7-12(15)14(17)16-11-3-4-13-10(8-11)5-6-18-13/h3-6,8-9,12H,7,15H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyICVAAHGQRNFSJR-LBPRGKRZSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 104902766
4-amino-5-(1-benzothiophen-5-ylamino)-5-oxopentanoic acid
CID 64897152
2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
CID 107471323
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
(2R)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 104903779
(2R)-2-amino-N-(1-benzothiophen-5-yl)-2-phenylacetamide
CID 61179816
(2S)-2-amino-N-dibenzothiophen-2-yl-4-methylpentanamide
CID 131863769
N-(1-benzothiophen-5-yl)-2-cyanobutanamide
CID 65473775
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide
CID 107769632
2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
CID 43704662

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide (CID 61179447) is (2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of (2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide?
The InChIKey is ICVAAHGQRNFSJR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9(2)7-12(15)14(17)16-11-3-4-13-10(8-11)5-6-18-13/h3-6,8-9,12H,7,15H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide?
(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide has a molecular weight of 262.38 g/mol, XLogP of 3.21, 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-(1-benzothiophen-5-yl)-4-methylpentanamide is sourced from PubChem (CID 61179447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).