[(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid

C18H15N3O3S — CID 69081151

IUPAC[(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid
SMILESO=C(O)N[C@@H](C(=O)Nc1ccc(-c2ccncc2)cc1)c1cccs1
InChIInChI=1S/C18H15N3O3S/c22-17(16(21-18(23)24)15-2-1-11-25-15)20-14-5-3-12(4-6-14)13-7-9-19-10-8-13/h1-11,16,21H,(H,20,22)(H,23,24)/t16-/m1/s1
InChIKeyJIXACTXKBOYOKD-MRXNPFEDSA-N
MW353.40 g/mol
LogP3.76
Rot. Bonds5

About [(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid

[(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid (PubChem CID 69081151) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is [(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid
PubChem CID69081151
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name[(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid
SMILESO=C(O)N[C@@H](C(=O)Nc1ccc(-c2ccncc2)cc1)c1cccs1
InChIInChI=1S/C18H15N3O3S/c22-17(16(21-18(23)24)15-2-1-11-25-15)20-14-5-3-12(4-6-14)13-7-9-19-10-8-13/h1-11,16,21H,(H,20,22)(H,23,24)/t16-/m1/s1
InChIKeyJIXACTXKBOYOKD-MRXNPFEDSA-N
XLogP3.76
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-pyridin-4-ylphenyl)propanamide
CID 110460098
2-anilino-N-(4-pyridin-4-ylphenyl)acetamide
CID 15981382
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
(2S)-2-amino-3,3-dimethyl-N-(4-pyridin-4-ylphenyl)butanamide
CID 175833956
(2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid
CID 151848888
2-[(4-ethynylphenyl)carbamoylamino]-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 11612264
2-(4-ethylphenyl)-2-(methylamino)-N-(4-pyridin-4-ylphenyl)acetamide
CID 137432611
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051153
2-(pyridin-4-ylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285189
1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea
CID 56593240
2-(carbamoylamino)-2-thiophen-2-ylacetamide
CID 54396307

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid?
The IUPAC name of [(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid (CID 69081151) is [(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid.
What is the SMILES notation for [(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid?
The canonical SMILES for [(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid is O=C(O)N[C@@H](C(=O)Nc1ccc(-c2ccncc2)cc1)c1cccs1.
What is the InChIKey of [(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid?
The InChIKey is JIXACTXKBOYOKD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-17(16(21-18(23)24)15-2-1-11-25-15)20-14-5-3-12(4-6-14)13-7-9-19-10-8-13/h1-11,16,21H,(H,20,22)(H,23,24)/t16-/m1/s1.
What are the key properties of [(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid?
[(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid has a molecular weight of 353.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-2-(4-pyridin-4-ylanilino)-1-thiophen-2-ylethyl]carbamic acid is sourced from PubChem (CID 69081151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).