2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide

C13H19N3O3S — CID 115647989

IUPAC2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCC(CCO)C1
InChIInChI=1S/C13H19N3O3S/c14-12(19)10-3-6-20-13(10)15-11(18)8-16-4-1-9(7-16)2-5-17/h3,6,9,17H,1-2,4-5,7-8H2,(H2,14,19)(H,15,18)
InChIKeyCQFKASDDUUNZHV-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.49
Rot. Bonds6

About 2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 115647989) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
PubChem CID115647989
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCC(CCO)C1
InChIInChI=1S/C13H19N3O3S/c14-12(19)10-3-6-20-13(10)15-11(18)8-16-4-1-9(7-16)2-5-17/h3,6,9,17H,1-2,4-5,7-8H2,(H2,14,19)(H,15,18)
InChIKeyCQFKASDDUUNZHV-UHFFFAOYSA-N
XLogP0.49
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 65249970
2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 79833534
2-[[2-[(2S)-2-methylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 30238407
2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 36732639
2-[[2-(2-phenylmorpholin-4-yl)acetyl]amino]thiophene-3-carboxamide
CID 71942816
N-(2,6-difluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648371
N-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648320
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]thiophene-3-carboxamide
CID 8897472
N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648071
N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 114797132
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 27156572

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide (CID 115647989) is 2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CN1CCC(CCO)C1.
What is the InChIKey of 2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is CQFKASDDUUNZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-12(19)10-3-6-20-13(10)15-11(18)8-16-4-1-9(7-16)2-5-17/h3,6,9,17H,1-2,4-5,7-8H2,(H2,14,19)(H,15,18).
What are the key properties of 2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 115647989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).