N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide

C16H20Cl2N2O2S — CID 55873784

IUPACN-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide
SMILESCCCSCC(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2S/c1-2-6-23-10-15(21)20-5-3-4-14(20)16(22)19-13-8-11(17)7-12(18)9-13/h7-9,14H,2-6,10H2,1H3,(H,19,22)
InChIKeyYNKCGTDHSOBSTN-UHFFFAOYSA-N
MW375.32 g/mol
LogP4.07
Rot. Bonds6

About N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide

N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide (PubChem CID 55873784) has the molecular formula C16H20Cl2N2O2S and a molecular weight of 375.32 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide
PubChem CID55873784
Molecular FormulaC16H20Cl2N2O2S
Molecular Weight375.32 g/mol
Exact Mass374.06
IUPAC NameN-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide
SMILESCCCSCC(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2S/c1-2-6-23-10-15(21)20-5-3-4-14(20)16(22)19-13-8-11(17)7-12(18)9-13/h7-9,14H,2-6,10H2,1H3,(H,19,22)
InChIKeyYNKCGTDHSOBSTN-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 119731279
N-(3,5-dichlorophenyl)-1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide
CID 119731301
1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293621
N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide
CID 78862576
N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide
CID 55873911
N-(3,5-dichlorophenyl)-1-[2-(3-fluorophenyl)acetyl]pyrrolidine-2-carboxamide
CID 55613895
4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide
CID 55911674
1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120990196
1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 55777949
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide
CID 55613853
(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1445734

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide (CID 55873784) is N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide is CCCSCC(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is YNKCGTDHSOBSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2S/c1-2-6-23-10-15(21)20-5-3-4-14(20)16(22)19-13-8-11(17)7-12(18)9-13/h7-9,14H,2-6,10H2,1H3,(H,19,22).
What are the key properties of N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide?
N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 375.32 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55873784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).