5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide

C12H17BrN2O2S — CID 107963789

IUPAC5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
SMILESO=C(c1csc(Br)c1)N(CCO)CC1CCCN1
InChIInChI=1S/C12H17BrN2O2S/c13-11-6-9(8-18-11)12(17)15(4-5-16)7-10-2-1-3-14-10/h6,8,10,14,16H,1-5,7H2
InChIKeyNSTOPQNYHBVVQE-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.70
Rot. Bonds5

About 5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide

5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide (PubChem CID 107963789) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
PubChem CID107963789
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
SMILESO=C(c1csc(Br)c1)N(CCO)CC1CCCN1
InChIInChI=1S/C12H17BrN2O2S/c13-11-6-9(8-18-11)12(17)15(4-5-16)7-10-2-1-3-14-10/h6,8,10,14,16H,1-5,7H2
InChIKeyNSTOPQNYHBVVQE-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107725339
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493
5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide
CID 106625541
5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
CID 105057853
N-(2-hydroxyethyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
CID 106613006
2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107732251
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide
CID 106612620
4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106612791
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106613059
N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 114031322
N-(2-hydroxyethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612911
2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612857

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide (CID 107963789) is 5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide is O=C(c1csc(Br)c1)N(CCO)CC1CCCN1.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide?
The InChIKey is NSTOPQNYHBVVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c13-11-6-9(8-18-11)12(17)15(4-5-16)7-10-2-1-3-14-10/h6,8,10,14,16H,1-5,7H2.
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide?
5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide has a molecular weight of 333.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 107963789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).