5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide

C18H20N2O2S — CID 43043492

IUPAC5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)s1
InChIInChI=1S/C18H20N2O2S/c1-13-4-9-16(23-13)17(21)19-12-14-5-7-15(8-6-14)18(22)20-10-2-3-11-20/h4-9H,2-3,10-12H2,1H3,(H,19,21)
InChIKeySHIBYGLIBUOOEG-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.22
Rot. Bonds4

About 5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide

5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 43043492) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID43043492
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)s1
InChIInChI=1S/C18H20N2O2S/c1-13-4-9-16(23-13)17(21)19-12-14-5-7-15(8-6-14)18(22)20-10-2-3-11-20/h4-9H,2-3,10-12H2,1H3,(H,19,21)
InChIKeySHIBYGLIBUOOEG-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 24516970
6-methyl-2-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 78895539
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 62502316
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
[4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119301454
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 18153751
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
CID 118789869
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 91780687
4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 32627467

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide (CID 43043492) is 5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)s1.
What is the InChIKey of 5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is SHIBYGLIBUOOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-4-9-16(23-13)17(21)19-12-14-5-7-15(8-6-14)18(22)20-10-2-3-11-20/h4-9H,2-3,10-12H2,1H3,(H,19,21).
What are the key properties of 5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 43043492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).