N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide

C19H24N2O2S — CID 97427618

IUPACN-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide
SMILESCO[C@@H]1CCN(c2ccc(NC(=O)CCc3sccc3C)cc2)C1
InChIInChI=1S/C19H24N2O2S/c1-14-10-12-24-18(14)7-8-19(22)20-15-3-5-16(6-4-15)21-11-9-17(13-21)23-2/h3-6,10,12,17H,7-9,11,13H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyHRBRIANSJDECFO-QGZVFWFLSA-N
MW344.48 g/mol
LogP3.85
Rot. Bonds6

About N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide

N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide (PubChem CID 97427618) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide
PubChem CID97427618
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide
SMILESCO[C@@H]1CCN(c2ccc(NC(=O)CCc3sccc3C)cc2)C1
InChIInChI=1S/C19H24N2O2S/c1-14-10-12-24-18(14)7-8-19(22)20-15-3-5-16(6-4-15)21-11-9-17(13-21)23-2/h3-6,10,12,17H,7-9,11,13H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyHRBRIANSJDECFO-QGZVFWFLSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 121141552
3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 90595367
3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 71809576
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide
CID 121141566
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 90595766
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide
CID 97427806
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide
CID 71809774
3-(4-cyanophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 71809777

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide?
The IUPAC name of N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide (CID 97427618) is N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide.
What is the SMILES notation for N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide?
The canonical SMILES for N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide is CO[C@@H]1CCN(c2ccc(NC(=O)CCc3sccc3C)cc2)C1.
What is the InChIKey of N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide?
The InChIKey is HRBRIANSJDECFO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-10-12-24-18(14)7-8-19(22)20-15-3-5-16(6-4-15)21-11-9-17(13-21)23-2/h3-6,10,12,17H,7-9,11,13H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide?
N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide has a molecular weight of 344.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 97427618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).