N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide

C21H24N2O2S — CID 56575769

IUPACN-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide
SMILESC=C1CCN(C(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C21H24N2O2S/c1-14(2)16-4-6-17(7-5-16)19(24)22-20-18(10-13-26-20)21(25)23-11-8-15(3)9-12-23/h4-7,10,13-14H,3,8-9,11-12H2,1-2H3,(H,22,24)
InChIKeyYQLQIALRGAYSND-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.92
Rot. Bonds4

About N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide

N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide (PubChem CID 56575769) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide
PubChem CID56575769
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide
SMILESC=C1CCN(C(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C21H24N2O2S/c1-14(2)16-4-6-17(7-5-16)19(24)22-20-18(10-13-26-20)21(25)23-11-8-15(3)9-12-23/h4-7,10,13-14H,3,8-9,11-12H2,1-2H3,(H,22,24)
InChIKeyYQLQIALRGAYSND-UHFFFAOYSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119409444
N-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide
CID 120655851
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119483467
2-[(4-propan-2-ylbenzoyl)amino]-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 119449720
N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60587824
N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 119474628
2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 55962173
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 55965676
4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide
CID 119648185
2-[(4-propan-2-ylbenzoyl)amino]-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119510040
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 55967083
N-[(1,1-dioxothiolan-3-yl)methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60554679

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide (CID 56575769) is N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide is C=C1CCN(C(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide?
The InChIKey is YQLQIALRGAYSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-14(2)16-4-6-17(7-5-16)19(24)22-20-18(10-13-26-20)21(25)23-11-8-15(3)9-12-23/h4-7,10,13-14H,3,8-9,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide?
N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide has a molecular weight of 368.50 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 56575769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).