2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide

C16H18N2O3S — CID 95904070

IUPAC2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide
SMILESCC[C@H](COc1ccccc1)NC(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C16H18N2O3S/c1-2-12(9-21-13-6-4-3-5-7-13)18-16(20)14-8-11(10-22-14)15(17)19/h3-8,10,12H,2,9H2,1H3,(H2,17,19)(H,18,20)/t12-/m1/s1
InChIKeyVKQFYQMCAMROTB-GFCCVEGCSA-N
MW318.40 g/mol
LogP2.43
Rot. Bonds7

About 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide

2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide (PubChem CID 95904070) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide
PubChem CID95904070
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide
SMILESCC[C@H](COc1ccccc1)NC(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C16H18N2O3S/c1-2-12(9-21-13-6-4-3-5-7-13)18-16(20)14-8-11(10-22-14)15(17)19/h3-8,10,12H,2,9H2,1H3,(H2,17,19)(H,18,20)/t12-/m1/s1
InChIKeyVKQFYQMCAMROTB-GFCCVEGCSA-N
XLogP2.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-[(4-carbamoylthiophene-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194448
2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide
CID 94480093
4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 97340263
2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide
CID 111112103
N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide
CID 95979886
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
3,4,5-trimethoxy-N-[(2S)-1-(3-methylphenoxy)butan-2-yl]benzamide
CID 96564662
5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79613799
1-phenoxy-N-propan-2-ylbutan-2-amine
CID 115905778

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide (CID 95904070) is 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide is CC[C@H](COc1ccccc1)NC(=O)c1cc(C(N)=O)cs1.
What is the InChIKey of 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide?
The InChIKey is VKQFYQMCAMROTB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-2-12(9-21-13-6-4-3-5-7-13)18-16(20)14-8-11(10-22-14)15(17)19/h3-8,10,12H,2,9H2,1H3,(H2,17,19)(H,18,20)/t12-/m1/s1.
What are the key properties of 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide?
2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 95904070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).