4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide

C14H22N2OS — CID 119514194

IUPAC4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC2CCCN2)s1
InChIInChI=1S/C14H22N2OS/c1-11-7-8-13(18-11)5-2-6-14(17)16-10-12-4-3-9-15-12/h7-8,12,15H,2-6,9-10H2,1H3,(H,16,17)
InChIKeyVBKVEKFVLRQXHH-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.25
Rot. Bonds6

About 4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide

4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide (PubChem CID 119514194) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
PubChem CID119514194
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC2CCCN2)s1
InChIInChI=1S/C14H22N2OS/c1-11-7-8-13(18-11)5-2-6-14(17)16-10-12-4-3-9-15-12/h7-8,12,15H,2-6,9-10H2,1H3,(H,16,17)
InChIKeyVBKVEKFVLRQXHH-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514853
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide
CID 119453783
4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514202
N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide
CID 111859435
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513702
4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119464147
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119513434
5-[[4-(5-methylthiophen-2-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110444
4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119511522
N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
CID 119433722

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide (CID 119514194) is 4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide is Cc1ccc(CCCC(=O)NCC2CCCN2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide?
The InChIKey is VBKVEKFVLRQXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-7-8-13(18-11)5-2-6-14(17)16-10-12-4-3-9-15-12/h7-8,12,15H,2-6,9-10H2,1H3,(H,16,17).
What are the key properties of 4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide?
4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide has a molecular weight of 266.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide is sourced from PubChem (CID 119514194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).