N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide

C17H22N2OS — CID 110641784

IUPACN-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESCc1cc(CNC(=O)CCc2cccs2)c(C)n1C1CC1
InChIInChI=1S/C17H22N2OS/c1-12-10-14(13(2)19(12)15-5-6-15)11-18-17(20)8-7-16-4-3-9-21-16/h3-4,9-10,15H,5-8,11H2,1-2H3,(H,18,20)
InChIKeyNPFBXNOGVFCWMX-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.75
Rot. Bonds6

About N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide

N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 110641784) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID110641784
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESCc1cc(CNC(=O)CCc2cccs2)c(C)n1C1CC1
InChIInChI=1S/C17H22N2OS/c1-12-10-14(13(2)19(12)15-5-6-15)11-18-17(20)8-7-16-4-3-9-21-16/h3-4,9-10,15H,5-8,11H2,1-2H3,(H,18,20)
InChIKeyNPFBXNOGVFCWMX-UHFFFAOYSA-N
XLogP3.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
CID 110641778
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 110730380
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 110642169
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-thiophen-2-ylpropanamide
CID 95324633
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide
CID 9112024
N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846
1-(4-chlorophenyl)-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
CID 110416084
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-2-ylpropanamide
CID 32716435
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide
CID 110641674
N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570732
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110736265
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-thiophen-2-ylpropanamide
CID 78813119

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide (CID 110641784) is N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide is Cc1cc(CNC(=O)CCc2cccs2)c(C)n1C1CC1.
What is the InChIKey of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is NPFBXNOGVFCWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-10-14(13(2)19(12)15-5-6-15)11-18-17(20)8-7-16-4-3-9-21-16/h3-4,9-10,15H,5-8,11H2,1-2H3,(H,18,20).
What are the key properties of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide?
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 302.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110641784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).