N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

C20H21N3OS — CID 18290314

IUPACN-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C20H21N3OS/c1-15-14-16(22-9-2-3-10-22)6-7-17(15)21-20(24)19-18(8-13-25-19)23-11-4-5-12-23/h4-8,11-14H,2-3,9-10H2,1H3,(H,21,24)
InChIKeyVCHRPDUKWKHULR-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.70
Rot. Bonds4

About N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 18290314) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID18290314
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C20H21N3OS/c1-15-14-16(22-9-2-3-10-22)6-7-17(15)21-20(24)19-18(8-13-25-19)23-11-4-5-12-23/h4-8,11-14H,2-3,9-10H2,1H3,(H,21,24)
InChIKeyVCHRPDUKWKHULR-UHFFFAOYSA-N
XLogP4.70
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.70
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

4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 42038603
3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157817
1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide
CID 78904439
N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46563897
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 35728610
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18088648
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 42157747
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17482365
4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 39966448
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 18290314) is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is Cc1cc(N2CCCC2)ccc1NC(=O)c1sccc1-n1cccc1.
What is the InChIKey of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is VCHRPDUKWKHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-15-14-16(22-9-2-3-10-22)6-7-17(15)21-20(24)19-18(8-13-25-19)23-11-4-5-12-23/h4-8,11-14H,2-3,9-10H2,1H3,(H,21,24).
What are the key properties of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 18290314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).