N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C16H23N3OS — CID 119643874

IUPACN-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cccn1Cc1cccs1
InChIInChI=1S/C16H23N3OS/c1-3-16(17,4-2)12-18-15(20)14-8-5-9-19(14)11-13-7-6-10-21-13/h5-10H,3-4,11-12,17H2,1-2H3,(H,18,20)
InChIKeyGEJGUPYBLMKPDQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.85
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 119643874) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID119643874
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cccn1Cc1cccs1
InChIInChI=1S/C16H23N3OS/c1-3-16(17,4-2)12-18-15(20)14-8-5-9-19(14)11-13-7-6-10-21-13/h5-10H,3-4,11-12,17H2,1-2H3,(H,18,20)
InChIKeyGEJGUPYBLMKPDQ-UHFFFAOYSA-N
XLogP2.85
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953
N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119499620
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 96563172
(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 124610210
3-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 119221189
N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119449181
N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119668727
N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide;hydrochloride
CID 119640167
N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119449180
1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide
CID 114653630
N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119390366
N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55930290

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 119643874) is N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is CCC(N)(CC)CNC(=O)c1cccn1Cc1cccs1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is GEJGUPYBLMKPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-16(17,4-2)12-18-15(20)14-8-5-9-19(14)11-13-7-6-10-21-13/h5-10H,3-4,11-12,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 119643874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).