5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide

C23H37N5O2S — CID 163893927

IUPAC5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)NCCC(=O)N(C)C2CCN(C)CC2)sc1NC1CCCCC1
InChIInChI=1S/C23H37N5O2S/c1-16(24)19-15-20(31-23(19)26-17-7-5-4-6-8-17)22(30)25-12-9-21(29)28(3)18-10-13-27(2)14-11-18/h15,17-18,24,26H,4-14H2,1-3H3,(H,25,30)/b24-16+
InChIKeyQDYLKDWIDZUWNV-LFVJCYFKSA-N
MW447.65 g/mol
LogP3.55
Rot. Bonds8

About 5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide

5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 163893927) has the molecular formula C23H37N5O2S and a molecular weight of 447.65 g/mol. Its IUPAC name is 5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID163893927
Molecular FormulaC23H37N5O2S
Molecular Weight447.65 g/mol
Exact Mass447.27
IUPAC Name5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)NCCC(=O)N(C)C2CCN(C)CC2)sc1NC1CCCCC1
InChIInChI=1S/C23H37N5O2S/c1-16(24)19-15-20(31-23(19)26-17-7-5-4-6-8-17)22(30)25-12-9-21(29)28(3)18-10-13-27(2)14-11-18/h15,17-18,24,26H,4-14H2,1-3H3,(H,25,30)/b24-16+
InChIKeyQDYLKDWIDZUWNV-LFVJCYFKSA-N
XLogP3.55
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 20940440
N-Cyclohexyl-7-methyl-4H,5H,6H,7H-thieno[2,3-B]pyridine-2-carboxamide
CID 53014818
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide
CID 131953994
N-Cyclohexyl-7-ethyl-4H,5H,6H,7H-thieno[2,3-B]pyridine-2-carboxamide
CID 53014826
5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide
CID 123545413
5-[(4,4-difluorocyclohexyl)amino]-N-[3-(3,3-difluoropyrrolidin-1-yl)cyclobutyl]-4-ethanimidoylthiophene-2-carboxamide;molecular hydrogen
CID 176716487
N-[1-[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]piperidin-4-yl]-4-fluorobenzamide
CID 33010861
N-butyl-1-[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]-6-methylpiperidine-3-carboxamide
CID 56059725
1-[3-[[5-[(3-Fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]propyl]piperidine-3-carboxamide
CID 56490013
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide
CID 56569739
5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 78901503
N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 119375638

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide (CID 163893927) is 5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide is [H]/N=C(\C)c1cc(C(=O)NCCC(=O)N(C)C2CCN(C)CC2)sc1NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is QDYLKDWIDZUWNV-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H37N5O2S/c1-16(24)19-15-20(31-23(19)26-17-7-5-4-6-8-17)22(30)25-12-9-21(29)28(3)18-10-13-27(2)14-11-18/h15,17-18,24,26H,4-14H2,1-3H3,(H,25,30)/b24-16+.
What are the key properties of 5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 447.65 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 163893927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).