[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium

C18H25N2OS+ — CID 7439225

IUPAC[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium
SMILESCC[C@@H](C)[NH2+]CC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C18H24N2OS/c1-3-15(2)19-12-18(21)20(14-17-10-7-11-22-17)13-16-8-5-4-6-9-16/h4-11,15,19H,3,12-14H2,1-2H3/p+1/t15-/m1/s1
InChIKeyCDDOWTHEQHHECZ-OAHLLOKOSA-O
MW317.48 g/mol
LogP2.64
Rot. Bonds8

About [2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium

[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium (PubChem CID 7439225) has the molecular formula C18H25N2OS+ and a molecular weight of 317.48 g/mol. Its IUPAC name is [2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium.

Molecular Properties

Compound Name[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium
PubChem CID7439225
Molecular FormulaC18H25N2OS+
Molecular Weight317.48 g/mol
Exact Mass317.17
IUPAC Name[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium
SMILESCC[C@@H](C)[NH2+]CC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C18H24N2OS/c1-3-15(2)19-12-18(21)20(14-17-10-7-11-22-17)13-16-8-5-4-6-9-16/h4-11,15,19H,3,12-14H2,1-2H3/p+1/t15-/m1/s1
InChIKeyCDDOWTHEQHHECZ-OAHLLOKOSA-O
XLogP2.64
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium
CID 7327186
[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylazanium
CID 7417837
[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-butylazanium
CID 7263471
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butan-2-yl-2-chloropropanamide
CID 42777569
N-benzyl-2-[butan-2-yl-(2-methoxyacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 42777567
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]pentanamide
CID 7288793
[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-prop-2-enylazanium
CID 7218416
N-benzyl-2-[butan-2-yl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3542326
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]-3-chlorobenzamide
CID 93114134
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide
CID 3451505
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-2-chloropropanamide
CID 4032692
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 3581124

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium?
The IUPAC name of [2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium (CID 7439225) is [2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium.
What is the SMILES notation for [2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium?
The canonical SMILES for [2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium is CC[C@@H](C)[NH2+]CC(=O)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of [2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium?
The InChIKey is CDDOWTHEQHHECZ-OAHLLOKOSA-O. The full InChI is InChI=1S/C18H24N2OS/c1-3-15(2)19-12-18(21)20(14-17-10-7-11-22-17)13-16-8-5-4-6-9-16/h4-11,15,19H,3,12-14H2,1-2H3/p+1/t15-/m1/s1.
What are the key properties of [2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium?
[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium has a molecular weight of 317.48 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium is sourced from PubChem (CID 7439225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).