4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide

C16H16N4O3S — CID 118501136

IUPAC4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide
SMILESN#Cc1c(N2CCOCC2)sc(C(N)=O)c1-c1cccc(NO)c1
InChIInChI=1S/C16H16N4O3S/c17-9-12-13(10-2-1-3-11(8-10)19-22)14(15(18)21)24-16(12)20-4-6-23-7-5-20/h1-3,8,19,22H,4-7H2,(H2,18,21)
InChIKeyKJUAQZIEUFDJCX-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.02
Rot. Bonds4

About 4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide

4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide (PubChem CID 118501136) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide
PubChem CID118501136
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide
SMILESN#Cc1c(N2CCOCC2)sc(C(N)=O)c1-c1cccc(NO)c1
InChIInChI=1S/C16H16N4O3S/c17-9-12-13(10-2-1-3-11(8-10)19-22)14(15(18)21)24-16(12)20-4-6-23-7-5-20/h1-3,8,19,22H,4-7H2,(H2,18,21)
InChIKeyKJUAQZIEUFDJCX-UHFFFAOYSA-N
XLogP2.02
TPSA111.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile
CID 11076984
5-formyl-2-morpholin-4-yl-4-phenylthiophene-3-carbonitrile
CID 89127254
CID 89121331
CID 89121331
N-[C-(2-aminoprop-1-enyl)-N-methylcarbonimidoyl]-4-cyano-3-(3,4-dichlorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide
CID 143838312
5-(2-bromoacetyl)-4-(2,4-dichlorophenyl)-2-morpholin-4-ylthiophene-3-carbonitrile
CID 86640157
1-[4-cyano-3-(2,4-dichlorophenyl)-5-morpholin-4-ylthiophen-2-yl]-1-(2-hydroxyethyl)urea
CID 68639607
methyl 3-amino-4-cyano-5-(1,4-oxazepan-4-yl)thiophene-2-carboxylate
CID 103421749
1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea
CID 150723905
1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-fluorophenyl)urea
CID 162670160
3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide
CID 143838341
3-amino-4-cyano-N-methyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421780
4-cyano-3-(2,4-dichlorophenyl)-N'-methanimidoyl-5-morpholin-4-ylthiophene-2-carboximidamide;ethane;fluoromethane
CID 143914710

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide?
The IUPAC name of 4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide (CID 118501136) is 4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide is N#Cc1c(N2CCOCC2)sc(C(N)=O)c1-c1cccc(NO)c1.
What is the InChIKey of 4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide?
The InChIKey is KJUAQZIEUFDJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c17-9-12-13(10-2-1-3-11(8-10)19-22)14(15(18)21)24-16(12)20-4-6-23-7-5-20/h1-3,8,19,22H,4-7H2,(H2,18,21).
What are the key properties of 4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide?
4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 118501136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).