5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide

C20H31N3O2S — CID 143163394

IUPAC5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)NC2CCC(CO)CC2)sc1NC1CCCCC1
InChIInChI=1S/C20H31N3O2S/c1-13(21)17-11-18(26-20(17)23-15-5-3-2-4-6-15)19(25)22-16-9-7-14(12-24)8-10-16/h11,14-16,21,23-24H,2-10,12H2,1H3,(H,22,25)/b21-13+
InChIKeyMMZHSJRIBUUYPG-FYJGNVAPSA-N
MW377.55 g/mol
LogP4.16
Rot. Bonds6

About 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide

5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 143163394) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
PubChem CID143163394
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC Name5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)NC2CCC(CO)CC2)sc1NC1CCCCC1
InChIInChI=1S/C20H31N3O2S/c1-13(21)17-11-18(26-20(17)23-15-5-3-2-4-6-15)19(25)22-16-9-7-14(12-24)8-10-16/h11,14-16,21,23-24H,2-10,12H2,1H3,(H,22,25)/b21-13+
InChIKeyMMZHSJRIBUUYPG-FYJGNVAPSA-N
XLogP4.16
TPSA85.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carboxamide
CID 136394076
Cyclohexyl-[3-ethanimidoyl-5-[[4-(hydroxymethyl)cyclohexyl]carbamoyl]thiophen-2-yl]azanium
CID 143163393
5-(Cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde;2-[4-(methylamino)phenyl]ethanol
CID 143163408
5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide
CID 143163423
Ethyl 4-[[5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbonyl]amino]butanoate
CID 154548453
N-[4-[(dimethylamino)methyl]cyclohexyl]-4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carboxamide
CID 154548456
4-ethanimidoyl-N-[4-(2-hydroxyethyliminomethyl)cyclohexyl]-5-(oxan-3-ylamino)thiophene-2-carboxamide
CID 163915572
5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 103860423
5-(cyclopropanecarbonylamino)-N-[2-(hydroxymethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 112337464
5-(cyclopropanecarbonylamino)-N-[4-(hydroxymethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 112339556

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide (CID 143163394) is 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide is [H]/N=C(\C)c1cc(C(=O)NC2CCC(CO)CC2)sc1NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is MMZHSJRIBUUYPG-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-13(21)17-11-18(26-20(17)23-15-5-3-2-4-6-15)19(25)22-16-9-7-14(12-24)8-10-16/h11,14-16,21,23-24H,2-10,12H2,1H3,(H,22,25)/b21-13+.
What are the key properties of 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide?
5-(cyclohexylamino)-4-ethanimidoyl-N-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 377.55 g/mol, XLogP of 4.16, 6 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-[4-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 143163394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).