4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C15H21N3O2S — CID 61113371

IUPAC4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(CCOC)Cc1cccs1
InChIInChI=1S/C15H21N3O2S/c1-3-17-10-12(16)9-14(17)15(19)18(6-7-20-2)11-13-5-4-8-21-13/h4-5,8-10H,3,6-7,11,16H2,1-2H3
InChIKeyRPVQWEIJZHCYOC-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.44
Rot. Bonds7

About 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 61113371) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID61113371
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(CCOC)Cc1cccs1
InChIInChI=1S/C15H21N3O2S/c1-3-17-10-12(16)9-14(17)15(19)18(6-7-20-2)11-13-5-4-8-21-13/h4-5,8-10H,3,6-7,11,16H2,1-2H3
InChIKeyRPVQWEIJZHCYOC-UHFFFAOYSA-N
XLogP2.44
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60700789
2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 61113367
2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 61112230
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
4-amino-1-ethyl-N-(3-methoxypropyl)-N-methylpyrrole-2-carboxamide
CID 62984457
3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460854
4-(2-amino-2-oxoethoxy)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 50983664
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106234
6-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 46984721
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
2-amino-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 54869709
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 61113371) is 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N(CCOC)Cc1cccs1.
What is the InChIKey of 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is RPVQWEIJZHCYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-17-10-12(16)9-14(17)15(19)18(6-7-20-2)11-13-5-4-8-21-13/h4-5,8-10H,3,6-7,11,16H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61113371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).