N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide

C18H24N2OS — CID 97230259

IUPACN-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(CN[C@H](C)c2cccs2)c1
InChIInChI=1S/C18H24N2OS/c1-4-13(2)20-18(21)16-8-5-7-15(11-16)12-19-14(3)17-9-6-10-22-17/h5-11,13-14,19H,4,12H2,1-3H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyXQMZYHSYNSWXSK-ZIAGYGMSSA-N
MW316.47 g/mol
LogP4.13
Rot. Bonds7

About N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide

N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide (PubChem CID 97230259) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide
PubChem CID97230259
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(CN[C@H](C)c2cccs2)c1
InChIInChI=1S/C18H24N2OS/c1-4-13(2)20-18(21)16-8-5-7-15(11-16)12-19-14(3)17-9-6-10-22-17/h5-11,13-14,19H,4,12H2,1-3H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyXQMZYHSYNSWXSK-ZIAGYGMSSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide
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3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
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N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
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3-(methoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
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3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
3-(bromomethyl)-N-butan-2-ylbenzamide
CID 82109543
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
N-butan-2-yl-3-[[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
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3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
N-butan-2-yl-3-[[[N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)carbamimidoyl]amino]methyl]benzamide
CID 111582312
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide (CID 97230259) is N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide is CC[C@@H](C)NC(=O)c1cccc(CN[C@H](C)c2cccs2)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide?
The InChIKey is XQMZYHSYNSWXSK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-4-13(2)20-18(21)16-8-5-7-15(11-16)12-19-14(3)17-9-6-10-22-17/h5-11,13-14,19H,4,12H2,1-3H3,(H,20,21)/t13-,14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide?
N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide has a molecular weight of 316.47 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide is sourced from PubChem (CID 97230259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).