N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide

C15H16ClN3OS — CID 71465773

IUPACN-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESNc1ccc(-c2ccc(Cl)s2)cc1NC(=O)N1CCCC1
InChIInChI=1S/C15H16ClN3OS/c16-14-6-5-13(21-14)10-3-4-11(17)12(9-10)18-15(20)19-7-1-2-8-19/h3-6,9H,1-2,7-8,17H2,(H,18,20)
InChIKeySBEQYIIXOJFYBD-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.28
Rot. Bonds2

About N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide

N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 71465773) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID71465773
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESNc1ccc(-c2ccc(Cl)s2)cc1NC(=O)N1CCCC1
InChIInChI=1S/C15H16ClN3OS/c16-14-6-5-13(21-14)10-3-4-11(17)12(9-10)18-15(20)19-7-1-2-8-19/h3-6,9H,1-2,7-8,17H2,(H,18,20)
InChIKeySBEQYIIXOJFYBD-UHFFFAOYSA-N
XLogP4.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide
CID 4881057
1-(4-(5-(Aminomethyl)thiophen-2-yl)cyclohex-3-enyl)-3-(3-chloro-4-fluorophenyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 11719877
1-(3-Chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
CID 3639895
5-(3-Isopropyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-4-methyl-thiophene-2-carbonitrile
CID 44397949
3-(3-Chloro-4-fluorophenyl)-1-(4-(5-methylthiophen-2-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 44424267
N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide
CID 71465849
N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide
CID 71465852
N-(2-amino-5-thiophen-2-ylphenyl)-4,4-difluoropiperidine-1-carboxamide
CID 71465853
N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide
CID 89157897
3-(3-Chlorophenyl)-1-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea
CID 16015958
N-[2-amino-5-(4-methylthiophen-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 71465772
(2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide
CID 71465850

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide (CID 71465773) is N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide is Nc1ccc(-c2ccc(Cl)s2)cc1NC(=O)N1CCCC1.
What is the InChIKey of N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is SBEQYIIXOJFYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c16-14-6-5-13(21-14)10-3-4-11(17)12(9-10)18-15(20)19-7-1-2-8-19/h3-6,9H,1-2,7-8,17H2,(H,18,20).
What are the key properties of N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide?
N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71465773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).