5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide

C16H25N3O2S — CID 143163423

IUPAC5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)NCCCO)sc1NC1CCCCC1
InChIInChI=1S/C16H25N3O2S/c1-11(17)13-10-14(15(21)18-8-5-9-20)22-16(13)19-12-6-3-2-4-7-12/h10,12,17,19-20H,2-9H2,1H3,(H,18,21)/b17-11+
InChIKeyAJADNTXSKXWMEH-GZTJUZNOSA-N
MW323.46 g/mol
LogP2.99
Rot. Bonds7

About 5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide

5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide (PubChem CID 143163423) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide
PubChem CID143163423
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)NCCCO)sc1NC1CCCCC1
InChIInChI=1S/C16H25N3O2S/c1-11(17)13-10-14(15(21)18-8-5-9-20)22-16(13)19-12-6-3-2-4-7-12/h10,12,17,19-20H,2-9H2,1H3,(H,18,21)/b17-11+
InChIKeyAJADNTXSKXWMEH-GZTJUZNOSA-N
XLogP2.99
TPSA85.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(4,4-difluorocyclohexyl)amino]-N-[3-(3,3-difluoropyrrolidin-1-yl)cyclobutyl]-4-ethanimidoylthiophene-2-carboxamide;molecular hydrogen
CID 176716487
5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
CID 78896808
5-[(3-fluorobenzoyl)amino]-N-(3-hydroxypropyl)-3-methylthiophene-2-carboxamide
CID 78898285
5-[(4,4-difluorocyclohexyl)amino]-N-[3-(3,3-difluoropyrrolidin-1-yl)cyclobutyl]-4-ethanimidoylthiophene-2-carboxamide
CID 176716488
N-cyclohexyl-4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carboxamide
CID 136394076
5-(cyclohexylamino)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-ethanimidoylthiophene-2-carboxamide
CID 143163385
Cyclohexyl-[3-ethanimidoyl-5-[[4-(hydroxymethyl)cyclohexyl]carbamoyl]thiophen-2-yl]azanium
CID 143163393
5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde;(3S)-N,N-dimethyl-3-(methylamino)pyrrolidine-1-carboxamide
CID 143163397
5-(Cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde;2-(methylamino)acetaldehyde;piperidin-4-ol
CID 143163407
5-(Cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde;4-(methylamino)butanoic acid
CID 143163411
5-(cyclohexylamino)-4-ethanimidoyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide
CID 143163412
5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 143163424

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide (CID 143163423) is 5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide is [H]/N=C(\C)c1cc(C(=O)NCCCO)sc1NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide?
The InChIKey is AJADNTXSKXWMEH-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-11(17)13-10-14(15(21)18-8-5-9-20)22-16(13)19-12-6-3-2-4-7-12/h10,12,17,19-20H,2-9H2,1H3,(H,18,21)/b17-11+.
What are the key properties of 5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide?
5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 143163423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).