2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide

C12H16Cl2N2OS — CID 103806544

IUPAC2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
SMILESCCCN(C(=O)c1cc(Cl)sc1Cl)C1CCNC1
InChIInChI=1S/C12H16Cl2N2OS/c1-2-5-16(8-3-4-15-7-8)12(17)9-6-10(13)18-11(9)14/h6,8,15H,2-5,7H2,1H3
InChIKeyLYIOFAWCLSVUMD-UHFFFAOYSA-N
MW307.25 g/mol
LogP3.27
Rot. Bonds4

About 2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide

2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide (PubChem CID 103806544) has the molecular formula C12H16Cl2N2OS and a molecular weight of 307.25 g/mol. Its IUPAC name is 2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
PubChem CID103806544
Molecular FormulaC12H16Cl2N2OS
Molecular Weight307.25 g/mol
Exact Mass306.04
IUPAC Name2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
SMILESCCCN(C(=O)c1cc(Cl)sc1Cl)C1CCNC1
InChIInChI=1S/C12H16Cl2N2OS/c1-2-5-16(8-3-4-15-7-8)12(17)9-6-10(13)18-11(9)14/h6,8,15H,2-5,7H2,1H3
InChIKeyLYIOFAWCLSVUMD-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
CID 119824416
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
2-chloro-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300545
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095
2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530172
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
4-methyl-6-oxo-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 124612474
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 81119139
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
4-chloro-2-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530295
N,2-dipropyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119533233

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide (CID 103806544) is 2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide is CCCN(C(=O)c1cc(Cl)sc1Cl)C1CCNC1.
What is the InChIKey of 2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide?
The InChIKey is LYIOFAWCLSVUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2OS/c1-2-5-16(8-3-4-15-7-8)12(17)9-6-10(13)18-11(9)14/h6,8,15H,2-5,7H2,1H3.
What are the key properties of 2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide?
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide has a molecular weight of 307.25 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 103806544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).