N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide

C16H15ClN2O2S — CID 51147954

IUPACN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)c1cccs1
InChIInChI=1S/C16H15ClN2O2S/c17-11-5-6-12(16(21)19-7-1-2-8-19)13(10-11)18-15(20)14-4-3-9-22-14/h3-6,9-10H,1-2,7-8H2,(H,18,20)
InChIKeyJSDYMKPARIEKDO-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.89
Rot. Bonds3

About N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide

N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 51147954) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID51147954
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)c1cccs1
InChIInChI=1S/C16H15ClN2O2S/c17-11-5-6-12(16(21)19-7-1-2-8-19)13(10-11)18-15(20)14-4-3-9-22-14/h3-6,9-10H,1-2,7-8H2,(H,18,20)
InChIKeyJSDYMKPARIEKDO-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 8868793
(2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate
CID 7879714
N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
N-[2-(1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119415438
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide
CID 142141961
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 56518765
2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119711879
N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 46536303
N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 41282701

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 51147954) is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide is O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)c1cccs1.
What is the InChIKey of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is JSDYMKPARIEKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c17-11-5-6-12(16(21)19-7-1-2-8-19)13(10-11)18-15(20)14-4-3-9-22-14/h3-6,9-10H,1-2,7-8H2,(H,18,20).
What are the key properties of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 334.83 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 51147954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).