N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide

C20H25ClN2O3S — CID 123161330

IUPACN-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C(=O)C(C)(C)C)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H25ClN2O3S/c1-14(2)23(19(24)20(3,4)5)18-11-6-15(12-22-18)13-27(25,26)17-9-7-16(21)8-10-17/h6-12,14H,13H2,1-5H3
InChIKeySDKOVTNVNHECLZ-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.50
Rot. Bonds5

About N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide

N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide (PubChem CID 123161330) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide
PubChem CID123161330
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C(=O)C(C)(C)C)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H25ClN2O3S/c1-14(2)23(19(24)20(3,4)5)18-11-6-15(12-22-18)13-27(25,26)17-9-7-16(21)8-10-17/h6-12,14H,13H2,1-5H3
InChIKeySDKOVTNVNHECLZ-UHFFFAOYSA-N
XLogP4.50
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide (CID 123161330) is N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide is CC(C)N(C(=O)C(C)(C)C)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
The InChIKey is SDKOVTNVNHECLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-14(2)23(19(24)20(3,4)5)18-11-6-15(12-22-18)13-27(25,26)17-9-7-16(21)8-10-17/h6-12,14H,13H2,1-5H3.
What are the key properties of N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide has a molecular weight of 408.95 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 123161330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).