N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide

C20H25N3OS — CID 25266932

IUPACN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)c3cccs3)cc2)C1
InChIInChI=1S/C20H25N3OS/c1-15-4-2-11-23(15)18-10-12-22(14-18)17-8-6-16(7-9-17)21-20(24)19-5-3-13-25-19/h3,5-9,13,15,18H,2,4,10-12,14H2,1H3,(H,21,24)
InChIKeyFPNYXMREXNRRRR-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.06
Rot. Bonds4

About N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide

N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide (PubChem CID 25266932) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
PubChem CID25266932
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)c3cccs3)cc2)C1
InChIInChI=1S/C20H25N3OS/c1-15-4-2-11-23(15)18-10-12-22(14-18)17-8-6-16(7-9-17)21-20(24)19-5-3-13-25-19/h3,5-9,13,15,18H,2,4,10-12,14H2,1H3,(H,21,24)
InChIKeyFPNYXMREXNRRRR-UHFFFAOYSA-N
XLogP4.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.06
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-aminophenyl)thiophene-2-carboxamide
CID 736373
1-[4-[3-(2-Methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 25229699
N,N'-1,4-Phenylenebis[2-thiophenecarboxamide]
CID 573445
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
2-Thiophenecarboxamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
CID 213545
N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide
CID 670788
N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 817337
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
3-methyl-N-[2-(pyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 24983095
N-(3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 847872
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1081265
N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
CID 59401768

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide (CID 25266932) is N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide is CC1CCCN1C1CCN(c2ccc(NC(=O)c3cccs3)cc2)C1.
What is the InChIKey of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is FPNYXMREXNRRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-15-4-2-11-23(15)18-10-12-22(14-18)17-8-6-16(7-9-17)21-20(24)19-5-3-13-25-19/h3,5-9,13,15,18H,2,4,10-12,14H2,1H3,(H,21,24).
What are the key properties of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide?
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 355.51 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 25266932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).