N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide

C18H19ClN2O2S — CID 59788692

IUPACN-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide
SMILESCSc1cc(C(=O)c2cc(Cl)ccc2NC(=O)C(C)(C)C)ccn1
InChIInChI=1S/C18H19ClN2O2S/c1-18(2,3)17(23)21-14-6-5-12(19)10-13(14)16(22)11-7-8-20-15(9-11)24-4/h5-10H,1-4H3,(H,21,23)
InChIKeyRNHPDLVVRCJFHD-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.67
Rot. Bonds4

About N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide

N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 59788692) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide
PubChem CID59788692
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC NameN-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide
SMILESCSc1cc(C(=O)c2cc(Cl)ccc2NC(=O)C(C)(C)C)ccn1
InChIInChI=1S/C18H19ClN2O2S/c1-18(2,3)17(23)21-14-6-5-12(19)10-13(14)16(22)11-7-8-20-15(9-11)24-4/h5-10H,1-4H3,(H,21,23)
InChIKeyRNHPDLVVRCJFHD-UHFFFAOYSA-N
XLogP4.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644830
N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2117002
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10450827
N-(4-Chlorophenyl)-2-(4-pyridylmethylthio)pyridine-3-carboxamide
CID 11725783
N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 44530194
(E)-5-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)indolin-2-one
CID 54582782
4-Pyridinecarboxamide, N-(2-benzoyl-4-chlorophenyl)-
CID 155097
4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide
CID 9823937
4-tert-Butyl-N-[4-chloro-2-(2-methyl-pyridine-4-carbonyl)-phenyl]benzenesulfonamide
CID 9980828
N-[4-Chloro-2-(pyridine-4-carbonyl)-phenyl]-4-(1,1-dimethyl-propyl)-benzenesulfonamide
CID 10026396
4-tert-butyl-N-[4-chloro-2-(6-methylsulfonylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10074941
4-tert-Butyl-N-[4-chloro-2-(2-methylsulfanyl-pyridine-4-carbonyl)-phenyl]-benzenesulfonamide
CID 10096486

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide (CID 59788692) is N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide is CSc1cc(C(=O)c2cc(Cl)ccc2NC(=O)C(C)(C)C)ccn1.
What is the InChIKey of N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is RNHPDLVVRCJFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-18(2,3)17(23)21-14-6-5-12(19)10-13(14)16(22)11-7-8-20-15(9-11)24-4/h5-10H,1-4H3,(H,21,23).
What are the key properties of N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide?
N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 362.88 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 59788692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).