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

C22H35N5O2S — CID 143163424

IUPAC5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)NCC(=O)N(C)C2CCN(C)CC2)sc1NC1CCCCC1
InChIInChI=1S/C22H35N5O2S/c1-15(23)18-13-19(30-22(18)25-16-7-5-4-6-8-16)21(29)24-14-20(28)27(3)17-9-11-26(2)12-10-17/h13,16-17,23,25H,4-12,14H2,1-3H3,(H,24,29)/b23-15+
InChIKeyVNUNRNSIQJCNTK-HZHRSRAPSA-N
MW433.62 g/mol
LogP3.16
Rot. Bonds7

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

5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 143163424) has the molecular formula C22H35N5O2S and a molecular weight of 433.62 g/mol. Its IUPAC name is 5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID143163424
Molecular FormulaC22H35N5O2S
Molecular Weight433.62 g/mol
Exact Mass433.25
IUPAC Name5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)NCC(=O)N(C)C2CCN(C)CC2)sc1NC1CCCCC1
InChIInChI=1S/C22H35N5O2S/c1-15(23)18-13-19(30-22(18)25-16-7-5-4-6-8-16)21(29)24-14-20(28)27(3)17-9-11-26(2)12-10-17/h13,16-17,23,25H,4-12,14H2,1-3H3,(H,24,29)/b23-15+
InChIKeyVNUNRNSIQJCNTK-HZHRSRAPSA-N
XLogP3.16
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 53.16
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-Cyclohexyl-7-ethyl-4H,5H,6H,7H-thieno[2,3-B]pyridine-2-carboxamide
CID 53014826
5-[(4,4-difluorocyclohexyl)amino]-N-[3-(3,3-difluoropyrrolidin-1-yl)cyclobutyl]-4-ethanimidoylthiophene-2-carboxamide;molecular hydrogen
CID 176716487
N-[5-[3-(butanoylamino)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 56367539
3-fluoro-N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 78896945
N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 119380328
N-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 119436690
N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 119468609
3-fluoro-N-[4-methyl-5-(2-methylpiperazine-1-carbonyl)thiophen-2-yl]benzamide
CID 119472459
3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide
CID 119491827
3-fluoro-N-[4-methyl-5-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]benzamide
CID 119579397
3-fluoro-N-[4-methyl-5-[(2R)-2-methylpiperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 120103830
3-fluoro-N-[4-methyl-5-[(2S)-2-methylpiperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 120108823

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 143163424) is 5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide is [H]/N=C(\C)c1cc(C(=O)NCC(=O)N(C)C2CCN(C)CC2)sc1NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is VNUNRNSIQJCNTK-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H35N5O2S/c1-15(23)18-13-19(30-22(18)25-16-7-5-4-6-8-16)21(29)24-14-20(28)27(3)17-9-11-26(2)12-10-17/h13,16-17,23,25H,4-12,14H2,1-3H3,(H,24,29)/b23-15+.
What are the key properties of 5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 433.62 g/mol, XLogP of 3.16, 7 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-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 143163424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).