N-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

C21H26N4OS — CID 137249656

IUPACN-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILES[H]/N=C(\C=C(\C)Nc1ccccc1)N(C(=O)c1cccs1)C1CCN(C)CC1
InChIInChI=1S/C21H26N4OS/c1-16(23-17-7-4-3-5-8-17)15-20(22)25(18-10-12-24(2)13-11-18)21(26)19-9-6-14-27-19/h3-9,14-15,18,22-23H,10-13H2,1-2H3/b16-15-,22-20+
InChIKeySISLUGQZLDJZSD-XGNCDKEYSA-N
MW382.53 g/mol
LogP4.28
Rot. Bonds5

About N-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

N-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 137249656) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID137249656
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILES[H]/N=C(\C=C(\C)Nc1ccccc1)N(C(=O)c1cccs1)C1CCN(C)CC1
InChIInChI=1S/C21H26N4OS/c1-16(23-17-7-4-3-5-8-17)15-20(22)25(18-10-12-24(2)13-11-18)21(26)19-9-6-14-27-19/h3-9,14-15,18,22-23H,10-13H2,1-2H3/b16-15-,22-20+
InChIKeySISLUGQZLDJZSD-XGNCDKEYSA-N
XLogP4.28
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylpiperidin-4-yl)-N-[(Z)-3-[3-(trifluoromethoxy)anilino]prop-2-enimidoyl]thiophene-2-carboxamide
CID 137256928
ethanimidoyl 3-[[(Z)-3-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-(thiophene-2-carbonyl)amino]-3-iminoprop-1-enyl]amino]benzenecarboximidate
CID 137249674
N-(1-methylpiperidin-4-yl)-N-propylthiophene-2-carboxamide
CID 4231172
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
ethanimidoyl 3-[[(Z)-3-[(3-hydroxybenzoyl)-(1-methylpiperidin-4-yl)amino]-3-iminoprop-1-enyl]amino]benzenecarboximidate
CID 137256942
(E)-3-anilinobut-2-enoic acid
CID 89350388
N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 51186037
N-[(Z)-3-anilinoprop-2-enimidoyl]-N-[3-(benzylamino)propyl]thiophene-2-carboxamide
CID 145383582
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N-[2-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 70131199
2-(1-methylpiperidin-4-yl)-1-phenylguanidine
CID 62362758
N-benzyl-N-(1-methylpiperidin-4-yl)-N'-propan-2-ylthiophene-2-carboximidamide
CID 47085348
2-anilino-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 54927274

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 137249656) is N-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is [H]/N=C(\C=C(\C)Nc1ccccc1)N(C(=O)c1cccs1)C1CCN(C)CC1.
What is the InChIKey of N-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is SISLUGQZLDJZSD-XGNCDKEYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-16(23-17-7-4-3-5-8-17)15-20(22)25(18-10-12-24(2)13-11-18)21(26)19-9-6-14-27-19/h3-9,14-15,18,22-23H,10-13H2,1-2H3/b16-15-,22-20+.
What are the key properties of N-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
N-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-anilinobut-2-enimidoyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 137249656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).