N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride

C19H24ClN3O2S — CID 119409444

IUPACN-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C19H23N3O2S.ClH/c1-12(2)13-3-5-14(6-4-13)17(23)21-18-16(8-10-25-18)19(24)22-9-7-15(20)11-22;/h3-6,8,10,12,15H,7,9,11,20H2,1-2H3,(H,21,23);1H/t15-;/m1./s1
InChIKeyZIUITXQWRLKVBE-XFULWGLBSA-N
MW393.94 g/mol
LogP3.72
Rot. Bonds4

About N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride

N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride (PubChem CID 119409444) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
PubChem CID119409444
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC NameN-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C19H23N3O2S.ClH/c1-12(2)13-3-5-14(6-4-13)17(23)21-18-16(8-10-25-18)19(24)22-9-7-15(20)11-22;/h3-6,8,10,12,15H,7,9,11,20H2,1-2H3,(H,21,23);1H/t15-;/m1./s1
InChIKeyZIUITXQWRLKVBE-XFULWGLBSA-N
XLogP3.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119483467
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
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-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide
CID 56575769
N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 119474628
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
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119485689
4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide
CID 119648185
2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 55962173
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-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride (CID 119409444) is N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride is CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CC[C@@H](N)C2)cc1.Cl.
What is the InChIKey of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride?
The InChIKey is ZIUITXQWRLKVBE-XFULWGLBSA-N. The full InChI is InChI=1S/C19H23N3O2S.ClH/c1-12(2)13-3-5-14(6-4-13)17(23)21-18-16(8-10-25-18)19(24)22-9-7-15(20)11-22;/h3-6,8,10,12,15H,7,9,11,20H2,1-2H3,(H,21,23);1H/t15-;/m1./s1.
What are the key properties of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride?
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119409444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).