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

C21H27N3OS — CID 59401768

IUPACN-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C21H27N3OS/c1-15-13-17(7-8-19(15)22-21(25)20-6-4-12-26-20)23-11-9-18(14-23)24-10-3-5-16(24)2/h4,6-8,12-13,16,18H,3,5,9-11,14H2,1-2H3,(H,22,25)
InChIKeyGYMBYNUNONBMHS-UHFFFAOYSA-N
MW369.53 g/mol
LogP4.37
Rot. Bonds4

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

N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide (PubChem CID 59401768) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
PubChem CID59401768
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC NameN-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C21H27N3OS/c1-15-13-17(7-8-19(15)22-21(25)20-6-4-12-26-20)23-11-9-18(14-23)24-10-3-5-16(24)2/h4,6-8,12-13,16,18H,3,5,9-11,14H2,1-2H3,(H,22,25)
InChIKeyGYMBYNUNONBMHS-UHFFFAOYSA-N
XLogP4.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide (CID 59401768) is N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide is Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is GYMBYNUNONBMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-15-13-17(7-8-19(15)22-21(25)20-6-4-12-26-20)23-11-9-18(14-23)24-10-3-5-16(24)2/h4,6-8,12-13,16,18H,3,5,9-11,14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide?
N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 369.53 g/mol, XLogP of 4.37, 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-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 59401768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).