4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide

C20H27N5OS — CID 143163409

IUPAC4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)sc1NCC
InChIInChI=1S/C20H27N5OS/c1-4-22-20-17(14(2)21)13-18(27-20)19(26)23-15-5-7-16(8-6-15)25-11-9-24(3)10-12-25/h5-8,13,21-22H,4,9-12H2,1-3H3,(H,23,26)/b21-14+
InChIKeyQXGPHVMYINGTHQ-KGENOOAVSA-N
MW385.54 g/mol
LogP3.57
Rot. Bonds6

About 4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide

4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 143163409) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is 4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID143163409
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)sc1NCC
InChIInChI=1S/C20H27N5OS/c1-4-22-20-17(14(2)21)13-18(27-20)19(26)23-15-5-7-16(8-6-15)25-11-9-24(3)10-12-25/h5-8,13,21-22H,4,9-12H2,1-3H3,(H,23,26)/b21-14+
InChIKeyQXGPHVMYINGTHQ-KGENOOAVSA-N
XLogP3.57
TPSA71.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methyl-1-piperazinyl)phenyl]-2-thiophenecarboxamide
CID 718994
N-[4-(4-benzoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 3161408
2-(6-Oxo-3-phenylpyridazin-1-YL)-N-{4-[4-(thiophene-2-carbonyl)piperazin-1-YL]phenyl}acetamide
CID 3224436
4-(dimethylamino)-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3245574
N-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 17479027
5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide
CID 17492804
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide
CID 8834516
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 20940527
N-[4-(4-benzylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 1396364
N-[2-(diethylamino)ethyl]-5-(1,2,3,4-tetrahydroquinolin-1-yl)thiophene-2-carboxamide
CID 20940510
4-[5-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-6-methylidene-1-[(Z)-prop-1-enyl]-2-pyridinyl]thiophene-2-carboxamide
CID 143681963
N-{4-[4-(2-thienylcarbonyl)-1-piperazinyl]phenyl}benzamide
CID 1090348

Frequently Asked Questions

What is the IUPAC name of 4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (CID 143163409) is 4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is [H]/N=C(\C)c1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)sc1NCC.
What is the InChIKey of 4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is QXGPHVMYINGTHQ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-4-22-20-17(14(2)21)13-18(27-20)19(26)23-15-5-7-16(8-6-15)25-11-9-24(3)10-12-25/h5-8,13,21-22H,4,9-12H2,1-3H3,(H,23,26)/b21-14+.
What are the key properties of 4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 385.54 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoyl-5-(ethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 143163409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).