N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide

C15H15ClN2OS — CID 806954

IUPACN-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccs1
InChIInChI=1S/C15H15ClN2OS/c16-12-10-11(17-15(19)14-4-3-9-20-14)5-6-13(12)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H,17,19)
InChIKeyMFTIGMUEIADPNR-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.25
Rot. Bonds3

About N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide

N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 806954) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
PubChem CID806954
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccs1
InChIInChI=1S/C15H15ClN2OS/c16-12-10-11(17-15(19)14-4-3-9-20-14)5-6-13(12)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H,17,19)
InChIKeyMFTIGMUEIADPNR-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Thiophene-2-carboxylic acid (4-chloro-phenyl)-amide
CID 728651
N-(3-chlorophenyl)thiophene-2-carboxamide
CID 531925
N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 1136439
N-(3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 847872
N-(4-amino-2-chlorophenyl)thiophene-2-carboxamide
CID 649944
N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide
CID 655790
N-[4-(diethylamino)phenyl]thiophene-2-carboxamide
CID 732311
N-({[3-chloro-4-(1-piperidinyl)phenyl]amino}carbonothioyl)-2-thiophenecarboxamide
CID 1341238
N-(5-chloro-2-piperidinophenyl)-2-thiophenecarboxamide
CID 1489366
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]thiophene-2-carboxamide
CID 2194976
N-{2-chloro-4-[(phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 2226693
3-(3,5-Dichloroanilino)-1-thiophen-2-ylpropan-1-one
CID 2230040

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide (CID 806954) is N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccs1.
What is the InChIKey of N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is MFTIGMUEIADPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-12-10-11(17-15(19)14-4-3-9-20-14)5-6-13(12)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H,17,19).
What are the key properties of N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 306.82 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 806954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).