N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide

C16H16N2O3S — CID 96531289

IUPACN-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide
SMILESC[C@H]1C[C@H](Nc2ccc(NC(=O)c3cccs3)cc2)C(=O)O1
InChIInChI=1S/C16H16N2O3S/c1-10-9-13(16(20)21-10)17-11-4-6-12(7-5-11)18-15(19)14-3-2-8-22-14/h2-8,10,13,17H,9H2,1H3,(H,18,19)/t10-,13-/m0/s1
InChIKeyVIEIVFIPFDINAZ-GWCFXTLKSA-N
MW316.38 g/mol
LogP3.12
Rot. Bonds4

About N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide

N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 96531289) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide
PubChem CID96531289
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide
SMILESC[C@H]1C[C@H](Nc2ccc(NC(=O)c3cccs3)cc2)C(=O)O1
InChIInChI=1S/C16H16N2O3S/c1-10-9-13(16(20)21-10)17-11-4-6-12(7-5-11)18-15(19)14-3-2-8-22-14/h2-8,10,13,17H,9H2,1H3,(H,18,19)/t10-,13-/m0/s1
InChIKeyVIEIVFIPFDINAZ-GWCFXTLKSA-N
XLogP3.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide
CID 95767473
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 47091649
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9205772
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-[4-[N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 5099209
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide (CID 96531289) is N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide is C[C@H]1C[C@H](Nc2ccc(NC(=O)c3cccs3)cc2)C(=O)O1.
What is the InChIKey of N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is VIEIVFIPFDINAZ-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-10-9-13(16(20)21-10)17-11-4-6-12(7-5-11)18-15(19)14-3-2-8-22-14/h2-8,10,13,17H,9H2,1H3,(H,18,19)/t10-,13-/m0/s1.
What are the key properties of N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide?
N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 96531289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).