5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide

C11H15ClN2OS — CID 63299732

IUPAC5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)s1)C1CCNC1
InChIInChI=1S/C11H15ClN2OS/c1-2-14(8-5-6-13-7-8)11(15)9-3-4-10(12)16-9/h3-4,8,13H,2,5-7H2,1H3
InChIKeyBMQYYWQAVSMTRB-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.23
Rot. Bonds3

About 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide

5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide (PubChem CID 63299732) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
PubChem CID63299732
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)s1)C1CCNC1
InChIInChI=1S/C11H15ClN2OS/c1-2-14(8-5-6-13-7-8)11(15)9-3-4-10(12)16-9/h3-4,8,13H,2,5-7H2,1H3
InChIKeyBMQYYWQAVSMTRB-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide
CID 79116342
5-chloro-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 62277462
4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 80537895
N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745714
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 55206101
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
CID 60806173
5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 104974058
4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63299472
3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
CID 80641610
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720777

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide (CID 63299732) is 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide is CCN(C(=O)c1ccc(Cl)s1)C1CCNC1.
What is the InChIKey of 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The InChIKey is BMQYYWQAVSMTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-2-14(8-5-6-13-7-8)11(15)9-3-4-10(12)16-9/h3-4,8,13H,2,5-7H2,1H3.
What are the key properties of 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide has a molecular weight of 258.77 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 63299732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).