N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

C20H26ClN3O3S — CID 55632246

IUPACN-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C
InChIInChI=1S/C20H26ClN3O3S/c1-15(16-8-7-9-17(21)12-16)23(3)20(25)19-13-18(14-22(19)2)28(26,27)24-10-5-4-6-11-24/h7-9,12-15H,4-6,10-11H2,1-3H3
InChIKeyBEFMZDOQLKXPOO-UHFFFAOYSA-N
MW423.97 g/mol
LogP3.69
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 55632246) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID55632246
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C
InChIInChI=1S/C20H26ClN3O3S/c1-15(16-8-7-9-17(21)12-16)23(3)20(25)19-13-18(14-22(19)2)28(26,27)24-10-5-4-6-11-24/h7-9,12-15H,4-6,10-11H2,1-3H3
InChIKeyBEFMZDOQLKXPOO-UHFFFAOYSA-N
XLogP3.69
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
N-(3-cyanophenyl)-1-methyl-4-piperidin-1-ylsulfonyl-N-propan-2-ylpyrrole-2-carboxamide
CID 60615586
N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 43021987
N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide
CID 55633668
N-(2,5-difluorophenyl)-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 52837374
N-(2-methoxyphenyl)-N,1-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 22519031
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46580547
N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 6625756
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 39427736
2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864
N-[(2-chlorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087222
N-ethyl-1-methyl-N-phenyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 18102236

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (CID 55632246) is N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is CC(c1cccc(Cl)c1)N(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is BEFMZDOQLKXPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3S/c1-15(16-8-7-9-17(21)12-16)23(3)20(25)19-13-18(14-22(19)2)28(26,27)24-10-5-4-6-11-24/h7-9,12-15H,4-6,10-11H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 423.97 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 55632246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).